diff --git a/src/koopmans/calculators/_calculator.py b/src/koopmans/calculators/_calculator.py
index d8ef2cb0d..11289854a 100644
--- a/src/koopmans/calculators/_calculator.py
+++ b/src/koopmans/calculators/_calculator.py
@@ -24,8 +24,9 @@ class ExtendedCalc(CalculatorExt, ASECalc, CalculatorABC):
 import os
 from abc import ABC, abstractmethod, abstractproperty
 from pathlib import Path
-from typing import (Any, Dict, Generic, List, Optional, Tuple, Type, TypeVar,
-                    Union)
+from typing import (TYPE_CHECKING, Any, Dict, Generic, List, Optional, Tuple,
+                    Type, TypeVar, Union)
+from uuid import UUID, uuid4
 
 import ase.io as ase_io
 import numpy as np
@@ -38,6 +39,9 @@ class ExtendedCalc(CalculatorExt, ASECalc, CalculatorABC):
 from koopmans import settings, utils
 from koopmans.files import FilePointer
 
+if TYPE_CHECKING:
+    from koopmans.workflows import Workflow
+
 
 def sanitize_filenames(filenames: Union[str, Path, List[str], List[Path]], ext_in: str, ext_out: str) -> List[Path]:
     # Generic function for sanitizing the input of CalculatorExt.fromfile()
@@ -74,8 +78,10 @@ class CalculatorExt():
     results: Dict[str, Any]
     ext_in: str = ''
     ext_out: str = ''
+    parent: Workflow | None
+    uuid: str
 
-    def __init__(self, skip_qc: bool = False, **kwargs: Any):
+    def __init__(self, parent=None, skip_qc: bool = False, **kwargs: Any):
         # Remove arguments that should not be treated as QE keywords
         kwargs.pop('directory', None)
 
@@ -87,7 +93,13 @@ def __init__(self, skip_qc: bool = False, **kwargs: Any):
         self.skip_qc = skip_qc
 
         # Prepare a dictionary to store a record of linked files
-        self.linked_files: Dict[str, Tuple[utils.HasDirectoryAttr | None, Path, bool, bool, bool]] = {}
+        self.linked_files: Dict[str, Tuple[utils.HasDirectoryInfo | None, Path, bool, bool, bool]] = {}
+
+        # Store the parent workflow
+        self.parent = parent
+
+        # Generate a unique identifier for this calculation
+        self.uuid = str(uuid4())
 
     def __repr__(self):
         entries = []
@@ -129,8 +141,29 @@ def directory(self, value: Path | str | None):
             return
         if not isinstance(value, Path):
             value = Path(value)
+        if value.is_absolute():
+            raise ValueError(f'`{self.__class__.__name__}.directory` must be a relative path')
         self._directory = value
 
+    @property
+    def absolute_directory(self) -> Path:
+        assert self.directory is not None
+        if self.parent is None:
+            return self.directory.resolve()
+        path = self.parent.directory / self.directory
+
+        # Recursive through the parents, adding their directories to path (these are all relative paths)...
+        obj = self.parent
+        while getattr(obj, 'parent', None):
+            assert obj.parent is not None
+            path = obj.parent.directory / path
+            obj = obj.parent
+
+        # ... until we reach the top-level parent, which should have a base_directory attribute (an absolute path)
+        if not hasattr(obj, 'base_directory'):
+            raise AttributeError(f'Expected `{obj.__class__.__name__}` instance to have a `base_directory` attribute')
+        return obj.base_directory / path
+
     def calculate(self):
         """Generic function for running a calculator"""
 
@@ -166,7 +199,7 @@ def _fetch_linked_files(self):
             if src_calc is None:
                 src_filename = src_filename.resolve()
             else:
-                src_filename = (src_calc.directory / src_filename).resolve()
+                src_filename = src_calc.absolute_directory / src_filename
             dest_filename = self.directory / dest_filename
 
             if not src_filename.exists():
@@ -232,9 +265,7 @@ def read_input(self, input_file: Optional[Path] = None):
         # Load calculator from input file
         calc: Calculator = ase_io.read(input_file).calc
 
-        # Update self based off the input file, first updating self.directory in order to ensure any settings that are
-        # relative paths are appropriately stored
-        self.directory = input_file.parent
+        # Update self based off the input file
         self.parameters = calc.parameters
         if isinstance(calc.atoms, Atoms):
             # Some calculators (e.g. wann2kc) can't reconstruct atoms from an input file
@@ -281,7 +312,7 @@ def fromdict(cls: Type[TCalc], dct: Any) -> TCalc:
             setattr(calc, k.lstrip('_'), v)
         return calc
 
-    def link_file(self, src_calc: utils.HasDirectoryAttr | None, src_filename: Path, dest_filename: Path, symlink: bool = False,
+    def link_file(self, src_calc: utils.HasDirectoryInfo | None, src_filename: Path, dest_filename: Path, symlink: bool = False,
                   recursive_symlink: bool = False, overwrite: bool = False):
         if src_filename.is_absolute() and src_calc is not None:
             raise ValueError(f'`src_filename` in `{self.__class__.__name__}.link_file()` must be a relative path if a '
@@ -359,7 +390,6 @@ def fromfile(cls, filenames: Union[str, Path, List[str], List[Path]]):
 
         # Read qe output file
         for filename in [f for f in sanitized_filenames if f.suffix == cls.ext_out]:
-            calc.directory = filename.parent
             calc.prefix = filename.stem
             try:
                 calc.read_results()
@@ -368,7 +398,9 @@ def fromfile(cls, filenames: Union[str, Path, List[str], List[Path]]):
                 pass
 
         # Update calc.directory and calc.parameters.prefix
-        calc.directory = sanitized_filenames[0].parent
+        assert hasattr(calc, 'parent')
+        base_directory = Path() if calc.parent is None else calc.parent.base_directory / calc.parent.directory
+        calc.directory = Path(os.path.relpath(sanitized_filenames[0].parent, base_directory))
         calc.prefix = sanitized_filenames[0].stem
 
         # Return the new calc object
diff --git a/src/koopmans/calculators/_koopmans_cp.py b/src/koopmans/calculators/_koopmans_cp.py
index 878459cb9..253284c5f 100644
--- a/src/koopmans/calculators/_koopmans_cp.py
+++ b/src/koopmans/calculators/_koopmans_cp.py
@@ -519,7 +519,10 @@ def has_empty_states(self, spin: Optional[int] = None) -> bool:
         return self.parameters.nbnd > nel
 
     def nspin1_dummy_calculator(self) -> KoopmansCPCalculator:
+        self.parent, parent = None, self.parent
         calc = copy.deepcopy(self)
+        self.parent = parent
+        calc.parent = parent
         calc.prefix += '_nspin1_dummy'
         calc.parameters.do_outerloop = False
         calc.parameters.do_outerloop_empty = False
@@ -536,7 +539,10 @@ def nspin1_dummy_calculator(self) -> KoopmansCPCalculator:
         return calc
 
     def nspin1_calculator(self) -> KoopmansCPCalculator:
+        self.parent, parent = None, self.parent
         calc = copy.deepcopy(self)
+        calc.parent = parent
+        self.parent = parent
         calc.prefix += '_nspin1'
         calc.parameters.nspin = 1
         calc.parameters.nelup = None
diff --git a/src/koopmans/files.py b/src/koopmans/files.py
index af5084346..e215b34ef 100644
--- a/src/koopmans/files.py
+++ b/src/koopmans/files.py
@@ -4,8 +4,8 @@
 
 import numpy as np
 
-from koopmans.utils import (HasDirectoryAttr, get_binary_content, get_content,
-                            write_binary_content, write_content)
+from koopmans.utils import (HasDirectoryInfo, get_binary_content, get_content,
+                            warn, write_binary_content, write_content)
 
 
 class FilePointer(NamedTuple):
@@ -17,17 +17,19 @@ class FilePointer(NamedTuple):
     to koopmans/AiiDA) and a name (which is the path of the file relative to the parent's directory).
 
     """
-    parent: HasDirectoryAttr
+    parent: HasDirectoryInfo
     name: Path
 
     def __repr__(self):
-        assert self.parent.directory is not None
-        relpath: str = os.path.relpath(self.parent.directory, Path.cwd())
-        return f'FilePointer({relpath}/{self.name})'
+        assert self.parent.absolute_directory is not None
+        return f'FilePointer({self.parent.absolute_directory}/{self.name})'
 
-    def aspath(self):
-        assert self.parent.directory is not None
-        return self.parent.directory / self.name
+    def aspath(self, absolute: bool = True) -> Path:
+        if absolute:
+            assert self.parent.absolute_directory is not None
+            return self.parent.absolute_directory / self.name
+        else:
+            return self.name
 
     def copy(self, dst: Path, binary=False):
         if binary:
@@ -56,7 +58,8 @@ def read(self, binary: bool = False, numpy: bool = False) -> Any:
 
     def rglob(self, pattern: str):
         for f in self.aspath().rglob(pattern):
-            yield FilePointer(parent=self.parent, name=f.relative_to(self.parent.directory))
+            assert self.parent.absolute_directory is not None
+            yield FilePointer(parent=self.parent, name=f.relative_to(self.parent.absolute_directory))
 
     def is_dir(self):
         return self.aspath().is_dir()
@@ -64,8 +67,28 @@ def is_dir(self):
     def __eq__(self, other):
         if not isinstance(other, FilePointer):
             return False
+        # Note that we don't check self.parent.absolute_directory
         return self.parent.directory == other.parent.directory and self.name == other.name
 
+    def __reduce__(self):
+        # We don't want to store the entire parent object in the database; we only need the directory information
+        abs_dir = self.parent.absolute_directory
+        dummy_parent = ParentPlaceholder(directory=self.parent.directory,
+                                         absolute_directory=self.parent.absolute_directory)
+        return (FilePointer, (dummy_parent, self.name))
+
+
+class ParentPlaceholder:
+    # Move into the test suite?
+    def __init__(self, directory, absolute_directory):
+        self.directory = directory
+        self._absolute_directory = absolute_directory
+
+    @property
+    def absolute_directory(self):
+        # This is a property in order to follow the HasDirectoryInfo protocol
+        return Path(__file__).parents[2] / self._absolute_directory
+
 
 class AbsolutePath:
     """ A class that can stand in as a parent in a FilePointer when the file is unattached to a Calculator or Process """
@@ -79,6 +102,10 @@ def __eq__(self, other):
             return False
         return self.directory == other.directory
 
+    @property
+    def absolute_directory(self) -> Path | None:
+        return self.directory
+
 
 def AbsoluteFilePointer(path: Path | str) -> FilePointer:
     path = path if isinstance(path, Path) else Path(path)
diff --git a/src/koopmans/io/_dill.py b/src/koopmans/io/_dill.py
index 9bce71b92..363433d25 100644
--- a/src/koopmans/io/_dill.py
+++ b/src/koopmans/io/_dill.py
@@ -1,46 +1,18 @@
+import os
 from pathlib import Path
 from typing import Any
 
 import dill
 
 
-class PicklerWithRelativePaths(dill.Pickler):
-    def __init__(self, base_directory, *args, **kwargs):
-        super().__init__(*args, **kwargs)
-        self.base_directory = base_directory
-
-    def reducer_override(self, obj):
-        if isinstance(obj, Path):
-            return Path, pickle_path(obj, self.base_directory)
-        else:
-            return NotImplemented
-
-
-def pickle_path(path: Path, base_directory: Path):
-    # Convert the path to relative if it's absolute
-    if path.is_absolute():
-        try:
-            rel_path = path.relative_to(base_directory.resolve())
-        except ValueError:
-            rel_path = path
-        return (str(rel_path),)
-    else:
-        # Return relative paths as-is
-        return (str(path),)
-
-
 def read_pkl(filename: Path | str) -> Any:
     with open(filename, 'rb') as fd:
         out = dill.load(fd)
     return out
 
 
-def write_pkl(obj: Any, filename: Path | str, base_directory: Path | None = None):
+def write_pkl(obj: Any, filename: Path | str):
     filename = Path(filename) if not isinstance(filename, Path) else filename
 
-    if base_directory is None:
-        base_directory = filename.parent
-
     with open(filename, 'wb') as fd:
-        pickler = PicklerWithRelativePaths(base_directory, fd)
-        pickler.dump(obj)
+        dill.dump(obj, fd)
diff --git a/src/koopmans/processes/_process.py b/src/koopmans/processes/_process.py
index be809a35b..c0236203c 100644
--- a/src/koopmans/processes/_process.py
+++ b/src/koopmans/processes/_process.py
@@ -5,7 +5,8 @@
 import re
 from abc import ABC, abstractmethod
 from pathlib import Path
-from typing import Dict, Generic, Tuple, Type, TypeVar
+from typing import TYPE_CHECKING, Dict, Generic, Tuple, Type, TypeVar
+from uuid import uuid4
 
 import dill
 import numpy as np
@@ -13,6 +14,9 @@
 
 from koopmans import utils
 
+if TYPE_CHECKING:
+    from koopmans.workflows import Workflow
+
 
 class IOModel(BaseModel):
     # BaseModel with an __eq__ method that compares attributes rather than memory addresses
@@ -36,7 +40,7 @@ def __eq__(self, other):
 
 class Process(ABC, Generic[InputModel, OutputModel]):
 
-    __slots__ = ['inputs', '_outputs', 'name', 'directory']
+    __slots__ = ['inputs', '_outputs', 'name', 'directory', 'parent', 'uuid', '_base_directory']
 
     def __init__(self, name: str | None = None, **kwargs):
         self.inputs: InputModel = self.input_model(**kwargs)
@@ -48,6 +52,11 @@ def __init__(self, name: str | None = None, **kwargs):
         else:
             self.name = name
         self.directory: Path | None = None
+        self.parent: Workflow | None = None
+        self.uuid = str(uuid4())
+        self._base_directory: Path | None = None
+        if self.parent is None:
+            self.base_directory = Path()
 
     def run(self):
         assert self.directory is not None, 'Process directory must be set before running'
@@ -111,3 +120,37 @@ def is_complete(self):
         if self.directory is None:
             raise ValueError('Process directory must be set before checking if it is complete')
         return (self.directory / f'{self.name}_outputs.pkl').exists()
+
+    @property
+    def base_directory(self) -> Path:
+        if self.parent is not None:
+            return self.parent.base_directory
+        else:
+            if self._base_directory is None:
+                raise ValueError(f'{self.__class__.__name__}.base_directory has not been set')
+            return self._base_directory
+
+    @base_directory.setter
+    def base_directory(self, value: Path):
+        if self.parent is not None:
+            raise ValueError(f'{self.__class__.__name__}.base_directory should not be set for processes with parents')
+        self._base_directory = value.resolve()
+
+    @property
+    def absolute_directory(self) -> Path:
+        assert self.directory is not None
+        if self.parent is None:
+            return self.base_directory / self.directory
+        path = self.parent.directory / self.directory
+
+        # Recursive through the parents, adding their directories to path (these are all relative paths)...
+        obj = self.parent
+        while getattr(obj, 'parent', None):
+            assert obj.parent is not None
+            path = obj.parent.directory / path
+            obj = obj.parent
+
+        # ... until we reach the top-level parent, which should have a base_directory attribute (an absolute path)
+        if not hasattr(obj, 'base_directory'):
+            raise AttributeError(f'Expected `{obj.__class__.__name__}` instance to have a `base_directory` attribute')
+        return obj.base_directory / path
diff --git a/src/koopmans/processes/bin2xml.py b/src/koopmans/processes/bin2xml.py
index d2c65500d..c89b61485 100644
--- a/src/koopmans/processes/bin2xml.py
+++ b/src/koopmans/processes/bin2xml.py
@@ -29,7 +29,7 @@ class Bin2XMLProcess(CommandLineTool):
     output_model = Bin2XMLOutput
 
     def _pre_run(self):
-        if not (self.inputs.binary.parent.directory / self.inputs.binary.name).exists():
+        if not (self.inputs.binary.parent.absolute_directory / self.inputs.binary.name).exists():
             raise FileNotFoundError(f'`{self.inputs.binary}` does not exist')
 
         # Load the file
diff --git a/src/koopmans/processes/koopmans_cp.py b/src/koopmans/processes/koopmans_cp.py
index 132cc0e9b..b0256a8b1 100644
--- a/src/koopmans/processes/koopmans_cp.py
+++ b/src/koopmans/processes/koopmans_cp.py
@@ -88,6 +88,8 @@ class SwapSpinFilesProcess(Process):
     output_model = SwapSpinFilesOutputModel
 
     def _run(self):
+        if not self.inputs.read_directory.exists():
+            raise FileNotFoundError(f'{self.inputs.read_directory} does not exist')
         spin_up_files = list(self.inputs.read_directory.rglob('*1.*'))
         spin_down_files = list(self.inputs.read_directory.rglob('*2.*'))
         for src in self.inputs.read_directory.rglob('*'):
diff --git a/src/koopmans/processes/ui/_process.py b/src/koopmans/processes/ui/_process.py
index 557ec2db8..db9547ec7 100644
--- a/src/koopmans/processes/ui/_process.py
+++ b/src/koopmans/processes/ui/_process.py
@@ -229,7 +229,7 @@ def write_results(self, directory: Optional[Path] = None) -> None:
         write_results calls write_bands and write_dos if the DOS was calculated
         """
         if directory is None:
-            directory = self.directory
+            directory = Path()
 
         self.write_bands(directory)
 
@@ -246,7 +246,7 @@ def write_bands(self, directory=None) -> None:
         """
 
         if directory is None:
-            directory = self.directory
+            directory = Path()
 
         kvec = []
         for kpt in self.inputs.parameters.kpath.kpts:
diff --git a/src/koopmans/references.bib b/src/koopmans/references.bib
index aa1481785..1e8fe8ac2 100644
--- a/src/koopmans/references.bib
+++ b/src/koopmans/references.bib
@@ -1,26 +1,46 @@
-@article{Dabo2013,
-  title = {Donor and Acceptor Levels of Organic Photovoltaic Compounds from First Principles},
-  author = {Dabo, Ismaila and Ferretti, Andrea and Park, Cheol Hwan and Poilvert, Nicolas and Li, Yanli and Cococcioni, Matteo and Marzari, Nicola},
-  year = {2013},
-  month = jan,
-  journal = {Phys. Chem. Chem. Phys.},
-  volume = {15},
+@article{Anisimov2005,
+  title = {Transition State Method and {{Wannier}} Functions},
+  author = {Anisimov, V. I. and Kozhevnikov, A. V.},
+  year = {2005},
+  month = aug,
+  journal = {Phys. Rev. B},
+  volume = {72},
+  number = {7},
+  pages = {075125},
+  publisher = {American Physical Society},
+  doi = {10.1103/PhysRevB.72.075125},
+  urldate = {2020-12-13},
+  abstract = {We propose a computational scheme for materials where standard local density approximation (LDA) fails to produce a satisfactory description of excitation energies. The method uses Slater's ``transition state'' approximation and Wannier functions basis set. We define a correction to LDA functional in such a way that its variation produces one-electron energies for Wannier functions equal to the energies obtained in transition state constrained LDA calculations. In the result eigenvalues of the proposed functional could be interpreted as excitation energies of the system under consideration. The method was applied to MgO, Si, NiO, and BaBiO3 and gave an improved agreement with experimental data of energy gap values comparing with LDA.}
+}
+
+@article{Baroni2001,
+  title = {Phonons and Related Crystal Properties from Density-Functional Perturbation Theory},
+  author = {Baroni, Stefano and {de Gironcoli}, Stefano and Dal Corso, Andrea and Giannozzi, Paolo},
+  year = {2001},
+  month = jul,
+  journal = {Rev. Mod. Phys.},
+  volume = {73},
   number = {2},
-  pages = {685--695},
-  issn = {14639076},
-  doi = {10.1039/c2cp43491a},
-  urldate = {2019-11-14},
-  abstract = {Accurate and efficient approaches to predict the optical properties of organic semiconducting compounds could accelerate the search for efficient organic photovoltaic materials. Nevertheless, predicting the optical properties of organic semiconductors has been plagued by the inaccuracy or computational cost of conventional first-principles calculations. In this work, we demonstrate that orbital-dependent density-functional theory based upon Koopmans' condition [Phys. Rev. B, 2010, 82, 115121] is apt for describing donor and acceptor levels for a wide variety of organic molecules, clusters, and oligomers within a few tenths of an electron-volt relative to experiment, which is comparable to the predictive performance of many-body perturbation theory methods at a fraction of the computational cost. {\copyright} the Owner Societies 2013.}
+  pages = {515--562},
+  publisher = {American Physical Society},
+  issn = {0034-6861},
+  doi = {10.1103/RevModPhys.73.515},
+  urldate = {2018-11-06}
 }
 
-@misc{Dabo2009,
-  title = {Non-{{Koopmans Corrections}} in {{Density-functional Theory}}: {{Self-interaction Revisited}}},
-  author = {Dabo, I. and Cococcioni, M. and Marzari, N.},
-  year = {2009},
-  month = jan,
-  eprint = {0901.2637},
-  abstract = {In effective single-electron theories, self-interaction manifests itself through the unphysical dependence of the energy of an electronic state as a function of its occupation, which results in important deviations from the ideal Koopmans trend and strongly affects the accuracy of electronic-structure predictions. Here, we study the non-Koopmans behavior of local and semilocal density-functional theory (DFT) total energy methods as a means to quantify and to correct self-interaction errors. We introduce a non-Koopmans self-interaction correction that generalizes the Perdew-Zunger scheme, and demonstrate its considerably improved performance in correcting the deficiencies of DFT approximations for self-interaction problems of fundamental and practical relevance.},
-  archiveprefix = {arXiv}
+@article{Borghi2014,
+  title = {Koopmans-Compliant Functionals and Their Performance against Reference Molecular Data},
+  author = {Borghi, Giovanni and Ferretti, Andrea and Nguyen, Ngoc Linh and Dabo, Ismaila and Marzari, Nicola},
+  year = {2014},
+  month = aug,
+  journal = {Phys. Rev. B},
+  volume = {90},
+  number = {7},
+  pages = {075135},
+  publisher = {American Physical Society},
+  issn = {1098-0121},
+  doi = {10.1103/PhysRevB.90.075135},
+  urldate = {2017-11-23}
 }
 
 @article{Borghi2015,
@@ -71,82 +91,30 @@ @article{Colonna2019
   abstract = {Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piecewise linearity of the total energy as a function of the fractional addition/removal of an electron to/from any orbital. We analyze the performance of different KC functionals on a large and standardized set of 100 molecules, the GW100 test set, comparing vertical ionization potentials (taken as opposite of the orbital energies) to those obtained from accurate quantum chemistry methods, and to experimental results. We find excellent agreement, with a mean absolute error of 0.20 eV for the KIPZ functional on the first ionization potential, which is state-of-the-art for both density functional theory (DFT)-based calculations and many-body perturbation theory. We highlight similarities and differences between KC functionals and other electronic-structure approaches, such as dielectric-dependent hybrid functionals and Green's function methods, both from a theoretical and from a pr...}
 }
 
-@article{Nguyen2018,
-  title = {Koopmans-Compliant Spectral Functionals for Extended Systems},
-  author = {Nguyen, Ngoc Linh and Colonna, Nicola and Ferretti, Andrea and Marzari, Nicola},
-  year = {2018},
-  month = may,
-  journal = {Phys. Rev. X},
-  volume = {8},
-  number = {2},
-  pages = {021051},
-  publisher = {American Physical Society},
-  issn = {2160-3308},
-  doi = {10.1103/PhysRevX.8.021051},
-  urldate = {2019-03-23}
-}
-
-@article{Nguyen2016,
-  title = {First-{{Principles Photoemission Spectroscopy}} of {{DNA}} and {{RNA Nucleobases}} from {{Koopmans-Compliant Functionals}}},
-  author = {Nguyen, Ngoc Linh and Borghi, Giovanni and Ferretti, Andrea and Marzari, Nicola},
-  year = {2016},
-  month = aug,
+@article{Colonna2022,
+  title = {Koopmans {{Spectral Functionals}} in {{Periodic Boundary Conditions}}},
+  author = {Colonna, Nicola and De Gennaro, Riccardo and Linscott, Edward and Marzari, Nicola},
+  year = {2022},
+  month = sep,
   journal = {J. Chem. Theory Comput.},
-  volume = {12},
-  number = {8},
-  pages = {3948--3958},
+  volume = {18},
+  number = {9},
+  pages = {5435--5448},
   publisher = {American Chemical Society},
-  issn = {15499626},
-  doi = {10.1021/acs.jctc.6b00145},
-  urldate = {2020-04-20},
-  abstract = {The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques that are able to accurately predict spectral properties. In this work, we employ Koopmans-compliant functionals, constructed to enforce piecewise linearity in approximate density functionals, to calculate the structural and electronic properties of DNA and RNA nucleobases. Our results show that not only ionization potentials and electron affinities are accurately predicted with mean absolute errors of {$<$}0.1 eV, but also that calculated photoemission spectra are in excellent agreement with experimental ultraviolet photoemission spectra. In particular, the role and contribution of different tautomers to the photoemission spectra are highlighted and discussed in detail. The structural properties of nucleobases are also investigated, showing an improved description with respect to local and semilocal density-functional theory. Methodologically, our results further consolidate the role of Koopmans-compliant functionals in providing, through orbital-density-dependent potentials, accurate electronic and spectral properties.}
-}
-
-@article{Ferretti2014,
-  title = {Bridging Density-Functional and Many-Body Perturbation Theory: Orbital-Density Dependence in Electronic-Structure Functionals},
-  author = {Ferretti, Andrea and Dabo, Ismaila and Cococcioni, Matteo and Marzari, Nicola},
-  year = {2014},
-  month = may,
-  journal = {Phys. Rev. B},
-  volume = {89},
-  number = {19},
-  pages = {195134},
-  publisher = {American Physical Society},
-  issn = {1098-0121},
-  doi = {10.1103/PhysRevB.89.195134},
-  urldate = {2019-03-23}
-}
-
-@article{Borghi2014,
-  title = {Koopmans-Compliant Functionals and Their Performance against Reference Molecular Data},
-  author = {Borghi, Giovanni and Ferretti, Andrea and Nguyen, Ngoc Linh and Dabo, Ismaila and Marzari, Nicola},
-  year = {2014},
-  month = aug,
-  journal = {Phys. Rev. B},
-  volume = {90},
-  number = {7},
-  pages = {075135},
-  publisher = {American Physical Society},
-  issn = {1098-0121},
-  doi = {10.1103/PhysRevB.90.075135},
-  urldate = {2017-11-23}
+  issn = {1549-9618},
+  doi = {10.1021/acs.jctc.2c00161},
+  urldate = {2024-03-05},
+  abstract = {Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically motivated orbital-density-dependent corrections. These corrections act on a set of localized orbitals that, in periodic systems, resemble maximally localized Wannier functions. At variance with the original, direct supercell implementation (Phys. Rev. X 2018, 8, 021051), we discuss here (i) the complex but efficient formalism required for a periodic boundary code using explicit Brillouin zone sampling and (ii) the calculation of the screened Koopmans corrections with density functional perturbation theory. In addition to delivering improved scaling with system size, the present development makes the calculation of band structures with Koopmans functionals straightforward. The implementation in the open-source Quantum ESPRESSO distribution and the application to prototypical insulating and semiconducting systems are presented and discussed.}
 }
 
-@article{Pederson1984,
-  title = {Local-density {{Hartree}}--{{Fock}} Theory of Electronic States of Molecules with Self-interaction Correction},
-  author = {Pederson, Mark R. and Heaton, Richard A. and Lin, Chun C.},
-  year = {1984},
-  month = mar,
-  journal = {J. Chem. Phys.},
-  volume = {80},
-  number = {5},
-  pages = {1972--1975},
-  publisher = {American Institute of Physics},
-  issn = {0021-9606},
-  doi = {10.1063/1.446959},
-  urldate = {2019-03-23},
-  abstract = {A scheme for incorporating the self-interaction correction (SIC) to the local density approximation of the Hartree--Fock theory of electronic structure of molecules is presented. This method is applied to the N2 molecule and the resulting orbital energies and total energy are in good agreement with the Hartree--Fock values.},
-  keywords = {ELECTRONIC STRUCTURE,HARTREEFOCK METHOD,MOLECULES,NITROGEN}
+@misc{Dabo2009,
+  title = {Non-{{Koopmans Corrections}} in {{Density-functional Theory}}: {{Self-interaction Revisited}}},
+  author = {Dabo, I. and Cococcioni, M. and Marzari, N.},
+  year = {2009},
+  month = jan,
+  eprint = {0901.2637},
+  abstract = {In effective single-electron theories, self-interaction manifests itself through the unphysical dependence of the energy of an electronic state as a function of its occupation, which results in important deviations from the ideal Koopmans trend and strongly affects the accuracy of electronic-structure predictions. Here, we study the non-Koopmans behavior of local and semilocal density-functional theory (DFT) total energy methods as a means to quantify and to correct self-interaction errors. We introduce a non-Koopmans self-interaction correction that generalizes the Perdew-Zunger scheme, and demonstrate its considerably improved performance in correcting the deficiencies of DFT approximations for self-interaction problems of fundamental and practical relevance.},
+  archiveprefix = {arXiv}
 }
 
 @article{Dabo2010,
@@ -164,34 +132,51 @@ @article{Dabo2010
   urldate = {2017-11-23}
 }
 
-@article{Nattino2019,
-  title = {Functional {{Extrapolations}} to {{Tame Unbound Anions}} in {{Density-Functional Theory Calculations}}},
-  author = {Nattino, Francesco and Dupont, C{\'e}line and Marzari, Nicola and Andreussi, Oliviero},
-  year = {2019},
-  month = nov,
-  journal = {J. Chem. Theory Comput.},
+@article{Dabo2013,
+  title = {Donor and Acceptor Levels of Organic Photovoltaic Compounds from First Principles},
+  author = {Dabo, Ismaila and Ferretti, Andrea and Park, Cheol Hwan and Poilvert, Nicolas and Li, Yanli and Cococcioni, Matteo and Marzari, Nicola},
+  year = {2013},
+  month = jan,
+  journal = {Phys. Chem. Chem. Phys.},
   volume = {15},
-  number = {11},
-  pages = {6313--6322},
-  issn = {15499626},
-  doi = {10.1021/acs.jctc.9b00552},
-  urldate = {2020-06-18},
-  abstract = {Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility for the extra electron to delocalize. Alternatively, a recent approach exploiting DFT evaluations of total energies on electronic densities optimized at the Hartree-Fock (HF) level has been reported, showing that the self-interaction-free HF densities are able to lead to an improved description of the additional electron, returning affinities in close agreement with the experiments. Nonetheless, such an approach can fail when the HF densities are too inaccurate. Here, an alternative approach is presented, in which an embedding environment is used to stabilize the anion in a bound configuration. Similar to the HF case, when computing total energies at the DFT level on these corrected densities, electron affinities in very good agreement with experiments can be recovered. The effect of the environment can be evaluated and removed by an extrapolation of the results to the limit of vanishing embedding. Apart from the definition of the domain of the embedding potential, the approach is free from parameters and it can be easily applied to DFT calculations with delocalized basis sets, e.g., plane waves, for which alternative approaches are either not viable or more computationally demanding. The proposed extrapolation strategy can be thus applied also to extended systems, as often studied in condensed-matter physics and materials science, and we illustrate how the embedding environment can be exploited to determine the energy of an adsorbing anion, here a chloride ion on a metal surface, whose charge configuration would be incorrectly predicted by standard density functionals.}
+  number = {2},
+  pages = {685--695},
+  issn = {14639076},
+  doi = {10.1039/c2cp43491a},
+  urldate = {2019-11-14},
+  abstract = {Accurate and efficient approaches to predict the optical properties of organic semiconducting compounds could accelerate the search for efficient organic photovoltaic materials. Nevertheless, predicting the optical properties of organic semiconductors has been plagued by the inaccuracy or computational cost of conventional first-principles calculations. In this work, we demonstrate that orbital-dependent density-functional theory based upon Koopmans' condition [Phys. Rev. B, 2010, 82, 115121] is apt for describing donor and acceptor levels for a wide variety of organic molecules, clusters, and oligomers within a few tenths of an electron-volt relative to experiment, which is comparable to the predictive performance of many-body perturbation theory methods at a fraction of the computational cost. {\copyright} the Owner Societies 2013.}
 }
 
-@article{Marzari2012,
-  title = {Maximally Localized {{Wannier}} Functions: {{Theory}} and Applications},
-  author = {Marzari, Nicola and Mostofi, Arash A. and Yates, Jonathan R. and Souza, Ivo and Vanderbilt, David},
-  year = {2012},
-  month = oct,
-  journal = {Rev. Mod. Phys.},
-  volume = {84},
-  number = {4},
-  pages = {1419--1475},
+@article{DeGennaro2022,
+  title = {Bloch's Theorem in Orbital-Density-Dependent Functionals: {{Band}} Structures from {{Koopmans}} Spectral Functionals},
+  shorttitle = {Bloch's Theorem in Orbital-Density-Dependent Functionals},
+  author = {De Gennaro, Riccardo and Colonna, Nicola and Linscott, Edward and Marzari, Nicola},
+  year = {2022},
+  month = jul,
+  journal = {Phys. Rev. B},
+  volume = {106},
+  number = {3},
+  pages = {035106},
   publisher = {American Physical Society},
-  issn = {0034-6861},
-  doi = {10.1103/RevModPhys.84.1419},
-  urldate = {2018-08-29}
+  doi = {10.1103/PhysRevB.106.035106},
+  urldate = {2022-07-08},
+  abstract = {Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system with respect to the occupation of any orbital. In crystalline materials, due to the orbital-density-dependent nature of the functionals, minimization of the total energy to a ground state provides a set of minimizing variational orbitals that are localized and thus break the periodicity of the underlying lattice. Despite this, we show that Bloch symmetry can be preserved and it is possible to describe the electronic states with a band-structure picture, thanks to the Wannier-like character of the variational orbitals. We also present a method to unfold and interpolate the electronic bands from supercell ({$\Gamma$}-point) calculations, which enables us to calculate full band structures with Koopmans-compliant functionals. The results obtained for a set of benchmark semiconductors and insulators show very good agreement with state-of-the-art many-body perturbation theory and experiments, underscoring the reliability of these spectral functionals in predicting band structures.},
+  copyright = {All rights reserved}
+}
+
+@article{Ferretti2014,
+  title = {Bridging Density-Functional and Many-Body Perturbation Theory: Orbital-Density Dependence in Electronic-Structure Functionals},
+  author = {Ferretti, Andrea and Dabo, Ismaila and Cococcioni, Matteo and Marzari, Nicola},
+  year = {2014},
+  month = may,
+  journal = {Phys. Rev. B},
+  volume = {89},
+  number = {19},
+  pages = {195134},
+  publisher = {American Physical Society},
+  issn = {1098-0121},
+  doi = {10.1103/PhysRevB.89.195134},
+  urldate = {2019-03-23}
 }
 
 @article{Hamann2013,
@@ -210,55 +195,36 @@ @article{Hamann2013
   abstract = {Fully nonlocal two-projector norm-conserving pseudopotentials are shown to be compatible with a systematic approach to the optimization of convergence with the size of the plane-wave basis. A reformulation of the optimization is developed, including the ability to apply it to positive-energy atomic scattering states and to enforce greater continuity in the pseudopotential. The generalization of norm conservation to multiple projectors is reviewed and recast for the present purposes. Comparisons among the results of all-electron and one- and two-projector norm-conserving pseudopotential calculations of lattice constants and bulk moduli are made for a group of solids chosen to represent a variety of types of bonding and a sampling of the periodic table. {\copyright} 2013 American Physical Society.}
 }
 
-@article{Schlipf2015,
-  title = {Optimization Algorithm for the Generation of {{ONCV}} Pseudopotentials},
-  author = {Schlipf, Martin and Gygi, Fran{\c c}ois},
-  year = {2015},
-  month = nov,
-  journal = {Computer Physics Communications},
-  volume = {196},
-  pages = {36--44},
-  issn = {0010-4655},
-  doi = {10.1016/j.cpc.2015.05.011},
-  urldate = {2021-07-09},
-  abstract = {We present an optimization algorithm to construct pseudopotentials and use it to generate a set of Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials for elements up to Z=83 (Bi) (excluding Lanthanides). We introduce a quality function that assesses the agreement of a pseudopotential calculation with all-electron FLAPW results, and the necessary plane-wave energy cutoff. This quality function allows us to use a Nelder--Mead optimization algorithm on a training set of materials to optimize the input parameters of the pseudopotential construction for most of the periodic table. We control the accuracy of the resulting pseudopotentials on a test set of materials independent of the training set. We find that the automatically constructed pseudopotentials (http://www.quantum-simulation.org) provide a good agreement with the all-electron results obtained using the FLEUR code with a plane-wave energy cutoff of approximately 60 Ry.},
-  keywords = {All-electron calculation,Condensed matter,Density functional theory,Plane wave,Pseudopotential}
+@article{Kraisler2013,
+  title = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}: {{Implications}} for {{Frontier Orbital Energies}}},
+  shorttitle = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}},
+  author = {Kraisler, Eli and Kronik, Leeor},
+  year = {2013},
+  month = mar,
+  journal = {Phys. Rev. Lett.},
+  volume = {110},
+  number = {12},
+  pages = {126403},
+  publisher = {American Physical Society},
+  doi = {10.1103/PhysRevLett.110.126403},
+  urldate = {2022-09-28},
+  abstract = {In the exact Kohn-Sham density-functional theory, the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies that do not exhibit this piecewise-linear behavior. As a result, the ionization potential theorem, equating the highest occupied eigenvalue with the ionization potential, is grossly disobeyed. Here, we show that, contrary to conventional wisdom, most of the required piecewise linearity of an arbitrary approximate density functional can be restored by careful consideration of the ensemble generalization of density-functional theory. Furthermore, the resulting formulation introduces the desired derivative discontinuity to any approximate exchange-correlation functional, even one that is explicitly density dependent. This opens the door to calculations of the ionization potential and electron affinity, even without explicit electron removal or addition. All these advances are achieved while neither introducing empiricism nor changing the underlying functional form. The power of the approach is demonstrated on benchmark systems using the local density approximation as an illustrative example.}
 }
 
-@article{Scherpelz2016,
-  title = {Implementation and {{Validation}} of {{Fully Relativistic GW Calculations}}: {{Spin}}--{{Orbit Coupling}} in {{Molecules}}, {{Nanocrystals}}, and {{Solids}}},
-  shorttitle = {Implementation and {{Validation}} of {{Fully Relativistic GW Calculations}}},
-  author = {Scherpelz, Peter and Govoni, Marco and Hamada, Ikutaro and Galli, Giulia},
-  year = {2016},
-  month = aug,
+@article{Kronik2012,
+  title = {Excitation {{Gaps}} of {{Finite-Sized Systems}} from {{Optimally Tuned Range-Separated Hybrid Functionals}}},
+  author = {Kronik, Leeor and Stein, Tamar and {Refaely-Abramson}, Sivan and Baer, Roi},
+  year = {2012},
+  month = may,
   journal = {J. Chem. Theory Comput.},
-  volume = {12},
-  number = {8},
-  pages = {3523--3544},
+  volume = {8},
+  number = {5},
+  pages = {1515--1531},
   publisher = {American Chemical Society},
   issn = {1549-9618},
-  doi = {10.1021/acs.jctc.6b00114},
-  urldate = {2022-02-17},
-  abstract = {We present an implementation of G0W0 calculations including spin--orbit coupling (SOC) enabling investigations of large systems, with thousands of electrons, and we discuss results for molecules, solids, and nanocrystals. Using a newly developed set of molecules with heavy elements (called GW-SOC81), we find that, when based upon hybrid density functional calculations, fully relativistic (FR) and scalar-relativistic (SR) G0W0 calculations of vertical ionization potentials both yield excellent performance compared to experiment, with errors below 1.9\%. We demonstrate that while SR calculations have higher random errors, FR calculations systematically underestimate the VIP by 0.1 to 0.2 eV. We further verify that SOC effects may be well approximated at the FR density functional level and then added to SR G0W0 results for a broad class of systems. We also address the use of different root-finding algorithms for the G0W0 quasiparticle equation and the significant influence of including d electrons in the valence partition of the pseudopotential for G0W0 calculations. Finally, we present statistical analyses of our data, highlighting the importance of separating definitive improvements from those that may occur by chance due to a limited number of samples. We suggest the statistical analyses used here will be useful in the assessment of the accuracy of a large variety of electronic structure methods.}
-}
-
-@article{Prandini2018,
-  title = {Precision and Efficiency in Solid-State Pseudopotential Calculations},
-  author = {Prandini, Gianluca and Marrazzo, Antimo and Castelli, Ivano E. and Mounet, Nicolas and Marzari, Nicola},
-  year = {2018},
-  month = dec,
-  journal = {npj Comput Mater},
-  volume = {4},
-  number = {1},
-  pages = {1--13},
-  publisher = {Nature Publishing Group},
-  issn = {2057-3960},
-  doi = {10.1038/s41524-018-0127-2},
-  urldate = {2022-02-17},
-  abstract = {Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on several independent criteria including verification against all-electron equations of state and plane-wave convergence tests for phonon frequencies, band structure, cohesive energy and pressure. Adopting these criteria we obtain curated pseudopotential libraries (named SSSP or standard solid-state pseudopotential libraries), that we target for high-throughput materials screening (``SSSP efficiency'') and high-precision materials modelling (``SSSP precision''). This latter scores highest among open-source pseudopotential libraries available in the {$\Delta$}-factor test of equations of states of elemental solids.},
-  copyright = {2018 The Author(s)},
-  langid = {english},
-  keywords = {Computational methods,Electronic structure}
+  doi = {10.1021/ct2009363},
+  urldate = {2022-10-17},
+  abstract = {Excitation gaps are of considerable significance in electronic structure theory. Two different gaps are of particular interest. The fundamental gap is defined by charged excitations, as the difference between the first ionization potential and the first electron affinity. The optical gap is defined by a neutral excitation, as the difference between the energies of the lowest dipole-allowed excited state and the ground state. Within many-body perturbation theory, the fundamental gap is the difference between the corresponding lowest quasi-hole and quasi-electron excitation energies, and the optical gap is addressed by including the interaction between a quasi-electron and a quasi-hole. A long-standing challenge has been the attainment of a similar description within density functional theory (DFT), with much debate on whether this is an achievable goal even in principle. Recently, we have constructed and applied a new approach to this problem. Anchored in the rigorous theoretical framework of the generalized Kohn--Sham equation, our method is based on a range-split hybrid functional that uses exact long-range exchange. Its main novel feature is that the range-splitting parameter is not a universal constant but rather is determined from first principles, per system, based on satisfaction of the ionization potential theorem. For finite-sized objects, this DFT approach mimics successfully, to the best of our knowledge for the first time, the quasi-particle picture of many-body theory. Specifically, it allows for the extraction of both the fundamental and the optical gap from one underlying functional, based on the HOMO--LUMO gap of a ground-state DFT calculation and the lowest excitation energy of a linear-response time-dependent DFT calculation, respectively. In particular, it produces the correct optical gap for the difficult case of charge-transfer and charge-transfer-like scenarios, where conventional functionals are known to fail. In this perspective, we overview the formal and practical challenges associated with gap calculations, explain our new approach and how it overcomes previous difficulties, and survey its application to a variety of systems.}
 }
 
 @article{Lejaeghere2016,
@@ -275,68 +241,32 @@ @article{Lejaeghere2016
   urldate = {2022-02-17}
 }
 
-@article{Baroni2001,
-  title = {Phonons and Related Crystal Properties from Density-Functional Perturbation Theory},
-  author = {Baroni, Stefano and {de Gironcoli}, Stefano and Dal Corso, Andrea and Giannozzi, Paolo},
-  year = {2001},
-  month = jul,
-  journal = {Rev. Mod. Phys.},
-  volume = {73},
-  number = {2},
-  pages = {515--562},
-  publisher = {American Physical Society},
-  issn = {0034-6861},
-  doi = {10.1103/RevModPhys.73.515},
-  urldate = {2018-11-06}
-}
-
-@article{DeGennaro2022,
-  title = {Bloch's Theorem in Orbital-Density-Dependent Functionals: {{Band}} Structures from {{Koopmans}} Spectral Functionals},
-  shorttitle = {Bloch's Theorem in Orbital-Density-Dependent Functionals},
-  author = {De Gennaro, Riccardo and Colonna, Nicola and Linscott, Edward and Marzari, Nicola},
-  year = {2022},
-  month = jul,
-  journal = {Phys. Rev. B},
-  volume = {106},
-  number = {3},
-  pages = {035106},
-  publisher = {American Physical Society},
-  doi = {10.1103/PhysRevB.106.035106},
-  urldate = {2022-07-08},
-  abstract = {Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system with respect to the occupation of any orbital. In crystalline materials, due to the orbital-density-dependent nature of the functionals, minimization of the total energy to a ground state provides a set of minimizing variational orbitals that are localized and thus break the periodicity of the underlying lattice. Despite this, we show that Bloch symmetry can be preserved and it is possible to describe the electronic states with a band-structure picture, thanks to the Wannier-like character of the variational orbitals. We also present a method to unfold and interpolate the electronic bands from supercell ({$\Gamma$}-point) calculations, which enables us to calculate full band structures with Koopmans-compliant functionals. The results obtained for a set of benchmark semiconductors and insulators show very good agreement with state-of-the-art many-body perturbation theory and experiments, underscoring the reliability of these spectral functionals in predicting band structures.},
-  copyright = {All rights reserved}
-}
-
-@article{vanSetten2018,
-  title = {The {{PseudoDojo}}: {{Training}} and Grading a 85 Element Optimized Norm-Conserving Pseudopotential Table},
-  shorttitle = {The {{PseudoDojo}}},
-  author = {{van Setten}, M. J. and Giantomassi, M. and Bousquet, E. and Verstraete, M. J. and Hamann, D. R. and Gonze, X. and Rignanese, G. -M.},
+@article{Li2018,
+  title = {Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations},
+  author = {Li, Chen and Zheng, Xiao and Su, Neil Qiang and Yang, Weitao},
   year = {2018},
-  month = may,
-  journal = {Computer Physics Communications},
-  volume = {226},
-  pages = {39--54},
-  issn = {0010-4655},
-  doi = {10.1016/j.cpc.2018.01.012},
-  urldate = {2022-07-29},
-  abstract = {First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two approximations are usually introduced: core electrons are frozen and the diverging Coulomb potential near the nucleus is replaced by a smoother expression. The norm-conserving pseudopotential was the first successful method to apply these approximations in a fully ab initio way. Later on, more efficient and more exact approaches were developed based on the ultrasoft and the projector augmented wave formalisms. These formalisms are however more complex and developing new features in these frameworks is usually more difficult than in the norm-conserving framework. Most of the existing tables of norm-conserving pseudopotentials, generated long ago, do not include the latest developments, are not systematically tested or are not designed primarily for high precision. In this paper, we present our PseudoDojo framework for developing and testing full tables of pseudopotentials, and demonstrate it with a new table generated with the ONCVPSP approach. The PseudoDojo is an open source project, building on the AbiPy package, for developing and systematically testing pseudopotentials. At present it contains 7 different batteries of tests executed with ABINIT, which are performed as a function of the energy cutoff. The results of these tests are then used to provide hints for the energy cutoff for actual production calculations. Our final set contains 141 pseudopotentials split into a standard and a stringent accuracy table. In total around 70,000 calculations were performed to test the pseudopotentials. The process of developing the final table led to new insights into the effects of both the core-valence partitioning and the non-linear core corrections on the stability, convergence, and transferability of norm-conserving pseudopotentials. The PseudoDojo hence provides a set of pseudopotentials and general purpose tools for further testing and development, focusing on highly accurate calculations and their use in the development of ab initio packages. The pseudopotential files are available on the PseudoDojo web-interface pseudo-dojo.org under the name NC (ONCVPSP) v0.4 in the psp8, UPF2, and PSML 1.1 formats. The webinterface also provides the inputs, which are compatible with the 3.3.1 and higher versions of ONCVPSP. All tests have been performed with ABINIT 8.4.},
-  langid = {english},
-  keywords = {Density functional theory,Electronic structure,First-principles calculation,Pseudopotential}
+  journal = {Natl. Sci. Rev.},
+  volume = {5},
+  pages = {203--215},
+  url = {https://academic.oup.com/nsr/article/5/2/203/4104965},
+  urldate = {2020-04-04}
 }
 
-@article{Schubert2023,
-  title = {Testing {{Koopmans}} Spectral Functionals on the Analytically Solvable {{Hooke}}'s Atom},
-  author = {Schubert, Yannick and Marzari, Nicola and Linscott, Edward},
+@article{Linscott2023,
+  title = {Koopmans: {{An Open-Source Package}} for {{Accurately}} and {{Efficiently Predicting Spectral Properties}} with {{Koopmans Functionals}}},
+  shorttitle = {Koopmans},
+  author = {Linscott, Edward B. and Colonna, Nicola and De Gennaro, Riccardo and Nguyen, Ngoc Linh and Borghi, Giovanni and Ferretti, Andrea and Dabo, Ismaila and Marzari, Nicola},
   year = {2023},
-  month = apr,
-  journal = {The Journal of Chemical Physics},
-  volume = {158},
-  number = {14},
-  pages = {144113},
-  issn = {0021-9606},
-  doi = {10.1063/5.0138610},
-  urldate = {2023-04-20},
-  abstract = {Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their Kohn--Sham density-functional theory counterparts, as demonstrated in earlier works on benchmarks of molecules and bulk systems. This work is a complementary study where---instead of comparing against real, many-electron systems---we test Koopmans spectral functionals on Hooke's atom, a toy two-electron system that has analytical solutions for particular strengths of its harmonic confining potential. As these calculations clearly illustrate, Koopmans spectral functionals do an excellent job of describing Hooke's atom across a range of confining potential strengths. This work also provides broader insights into the features and capabilities of Koopmans spectral functionals more generally.}
+  month = oct,
+  journal = {J. Chem. Theory Comput.},
+  volume = {19},
+  number = {20},
+  pages = {7097--7111},
+  publisher = {American Chemical Society},
+  issn = {1549-9618},
+  doi = {10.1021/acs.jctc.3c00652},
+  urldate = {2024-03-05},
+  abstract = {Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity condition to the entire electronic manifold, ensuring that orbital energies match the corresponding electron removal/addition energy differences (in contrast to semilocal DFT, where a mismatch between the two lies at the heart of the band gap problem and, more generally, the unreliability of Kohn--Sham orbital energies). This strategy has proven to be very powerful, yielding molecular orbital energies and solid-state band structures with comparable accuracy to many-body perturbation theory but at greatly reduced computational cost while preserving a functional formulation. This paper reviews the theory of Koopmans functionals, discusses the algorithms necessary for their implementation, and introduces koopmans, an open-source package that contains all of the code and workflows needed to perform Koopmans functional calculations and obtain reliable spectral properties of molecules and materials.}
 }
 
 @article{Ma2016,
@@ -357,92 +287,34 @@ @article{Ma2016
   langid = {english}
 }
 
-@article{Kraisler2013,
-  title = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}: {{Implications}} for {{Frontier Orbital Energies}}},
-  shorttitle = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}},
-  author = {Kraisler, Eli and Kronik, Leeor},
-  year = {2013},
-  month = mar,
-  journal = {Phys. Rev. Lett.},
-  volume = {110},
-  number = {12},
-  pages = {126403},
-  publisher = {American Physical Society},
-  doi = {10.1103/PhysRevLett.110.126403},
-  urldate = {2022-09-28},
-  abstract = {In the exact Kohn-Sham density-functional theory, the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies that do not exhibit this piecewise-linear behavior. As a result, the ionization potential theorem, equating the highest occupied eigenvalue with the ionization potential, is grossly disobeyed. Here, we show that, contrary to conventional wisdom, most of the required piecewise linearity of an arbitrary approximate density functional can be restored by careful consideration of the ensemble generalization of density-functional theory. Furthermore, the resulting formulation introduces the desired derivative discontinuity to any approximate exchange-correlation functional, even one that is explicitly density dependent. This opens the door to calculations of the ionization potential and electron affinity, even without explicit electron removal or addition. All these advances are achieved while neither introducing empiricism nor changing the underlying functional form. The power of the approach is demonstrated on benchmark systems using the local density approximation as an illustrative example.}
-}
-
-@article{Li2018,
-  title = {Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations},
-  author = {Li, Chen and Zheng, Xiao and Su, Neil Qiang and Yang, Weitao},
-  year = {2018},
-  journal = {Natl. Sci. Rev.},
-  volume = {5},
-  pages = {203--215},
-  url = {https://academic.oup.com/nsr/article/5/2/203/4104965},
-  urldate = {2020-04-04}
-}
-
-@article{Skone2016,
-  title = {Nonempirical Range-Separated Hybrid Functionals for Solids and Molecules},
-  author = {Skone, Jonathan H. and Govoni, Marco and Galli, Giulia},
-  year = {2016},
-  month = jun,
-  journal = {Phys. Rev. B},
-  volume = {93},
-  number = {23},
-  pages = {235106},
+@article{Marzari2012,
+  title = {Maximally Localized {{Wannier}} Functions: {{Theory}} and Applications},
+  author = {Marzari, Nicola and Mostofi, Arash A. and Yates, Jonathan R. and Souza, Ivo and Vanderbilt, David},
+  year = {2012},
+  month = oct,
+  journal = {Rev. Mod. Phys.},
+  volume = {84},
+  number = {4},
+  pages = {1419--1475},
   publisher = {American Physical Society},
-  issn = {24699969},
-  doi = {10.1103/PhysRevB.93.235106},
-  urldate = {2020-05-10},
-  abstract = {Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. Here we introduce a range-separated (RS) version of DDH functionals where short- and long-range components are matched using system-dependent, nonempirical parameters. We show that RS-DDHs yield accurate electronic properties of inorganic and organic solids, including energy gaps and absolute ionization potentials. Furthermore we show that these functionals may be generalized to finite systems.}
-}
-
-@article{Wing2021,
-  title = {Band Gaps of Crystalline Solids from {{Wannier-localization}}--Based Optimal Tuning of a Screened Range-Separated Hybrid Functional},
-  author = {Wing, Dahvyd and Ohad, Guy and Haber, Jonah B. and Filip, Marina R. and Gant, Stephen E. and Neaton, Jeffrey B. and Kronik, Leeor},
-  year = {2021},
-  month = aug,
-  journal = {Proc. Natl. Acad. Sci.},
-  volume = {118},
-  number = {34},
-  pages = {e2104556118},
-  publisher = {Proceedings of the National Academy of Sciences},
-  doi = {10.1073/pnas.2104556118},
-  urldate = {2022-03-22}
+  issn = {0034-6861},
+  doi = {10.1103/RevModPhys.84.1419},
+  urldate = {2018-08-29}
 }
 
-@article{Kronik2012,
-  title = {Excitation {{Gaps}} of {{Finite-Sized Systems}} from {{Optimally Tuned Range-Separated Hybrid Functionals}}},
-  author = {Kronik, Leeor and Stein, Tamar and {Refaely-Abramson}, Sivan and Baer, Roi},
-  year = {2012},
-  month = may,
+@article{Nattino2019,
+  title = {Functional {{Extrapolations}} to {{Tame Unbound Anions}} in {{Density-Functional Theory Calculations}}},
+  author = {Nattino, Francesco and Dupont, C{\'e}line and Marzari, Nicola and Andreussi, Oliviero},
+  year = {2019},
+  month = nov,
   journal = {J. Chem. Theory Comput.},
-  volume = {8},
-  number = {5},
-  pages = {1515--1531},
-  publisher = {American Chemical Society},
-  issn = {1549-9618},
-  doi = {10.1021/ct2009363},
-  urldate = {2022-10-17},
-  abstract = {Excitation gaps are of considerable significance in electronic structure theory. Two different gaps are of particular interest. The fundamental gap is defined by charged excitations, as the difference between the first ionization potential and the first electron affinity. The optical gap is defined by a neutral excitation, as the difference between the energies of the lowest dipole-allowed excited state and the ground state. Within many-body perturbation theory, the fundamental gap is the difference between the corresponding lowest quasi-hole and quasi-electron excitation energies, and the optical gap is addressed by including the interaction between a quasi-electron and a quasi-hole. A long-standing challenge has been the attainment of a similar description within density functional theory (DFT), with much debate on whether this is an achievable goal even in principle. Recently, we have constructed and applied a new approach to this problem. Anchored in the rigorous theoretical framework of the generalized Kohn--Sham equation, our method is based on a range-split hybrid functional that uses exact long-range exchange. Its main novel feature is that the range-splitting parameter is not a universal constant but rather is determined from first principles, per system, based on satisfaction of the ionization potential theorem. For finite-sized objects, this DFT approach mimics successfully, to the best of our knowledge for the first time, the quasi-particle picture of many-body theory. Specifically, it allows for the extraction of both the fundamental and the optical gap from one underlying functional, based on the HOMO--LUMO gap of a ground-state DFT calculation and the lowest excitation energy of a linear-response time-dependent DFT calculation, respectively. In particular, it produces the correct optical gap for the difficult case of charge-transfer and charge-transfer-like scenarios, where conventional functionals are known to fail. In this perspective, we overview the formal and practical challenges associated with gap calculations, explain our new approach and how it overcomes previous difficulties, and survey its application to a variety of systems.}
-}
-
-@article{Anisimov2005,
-  title = {Transition State Method and {{Wannier}} Functions},
-  author = {Anisimov, V. I. and Kozhevnikov, A. V.},
-  year = {2005},
-  month = aug,
-  journal = {Phys. Rev. B},
-  volume = {72},
-  number = {7},
-  pages = {075125},
-  publisher = {American Physical Society},
-  doi = {10.1103/PhysRevB.72.075125},
-  urldate = {2020-12-13},
-  abstract = {We propose a computational scheme for materials where standard local density approximation (LDA) fails to produce a satisfactory description of excitation energies. The method uses Slater's ``transition state'' approximation and Wannier functions basis set. We define a correction to LDA functional in such a way that its variation produces one-electron energies for Wannier functions equal to the energies obtained in transition state constrained LDA calculations. In the result eigenvalues of the proposed functional could be interpreted as excitation energies of the system under consideration. The method was applied to MgO, Si, NiO, and BaBiO3 and gave an improved agreement with experimental data of energy gap values comparing with LDA.}
+  volume = {15},
+  number = {11},
+  pages = {6313--6322},
+  issn = {15499626},
+  doi = {10.1021/acs.jctc.9b00552},
+  urldate = {2020-06-18},
+  abstract = {Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility for the extra electron to delocalize. Alternatively, a recent approach exploiting DFT evaluations of total energies on electronic densities optimized at the Hartree-Fock (HF) level has been reported, showing that the self-interaction-free HF densities are able to lead to an improved description of the additional electron, returning affinities in close agreement with the experiments. Nonetheless, such an approach can fail when the HF densities are too inaccurate. Here, an alternative approach is presented, in which an embedding environment is used to stabilize the anion in a bound configuration. Similar to the HF case, when computing total energies at the DFT level on these corrected densities, electron affinities in very good agreement with experiments can be recovered. The effect of the environment can be evaluated and removed by an extrapolation of the results to the limit of vanishing embedding. Apart from the definition of the domain of the embedding potential, the approach is free from parameters and it can be easily applied to DFT calculations with delocalized basis sets, e.g., plane waves, for which alternative approaches are either not viable or more computationally demanding. The proposed extrapolation strategy can be thus applied also to extended systems, as often studied in condensed-matter physics and materials science, and we illustrate how the embedding environment can be exploited to determine the energy of an adsorbing anion, here a chloride ion on a metal surface, whose charge configuration would be incorrectly predicted by standard density functionals.}
 }
 
 @article{Nguyen2015,
@@ -460,21 +332,71 @@ @article{Nguyen2015
   abstract = {The determination of spectral properties from first principles can provide powerful connections between microscopic theoretical predictions and experimental data, but requires complex electronic-structure formulations that fall outside the domain of applicability of common approaches, such as density-functional theory. We show here that Koopmans-compliant functionals, constructed to enforce piecewise linearity and the correct discontinuity derivative in energy functionals with respect to fractional occupation---i.e., with respect to charged excitations---provide molecular photoemission spectra and momentum maps of Dyson orbitals that are in excellent agreement with experimental ultraviolet photoemission spectroscopy and orbital tomography data. These results highlight the role of Koopmans-compliant functionals as accurate and inexpensive quasiparticle approximations to the spectral potential.}
 }
 
-@article{Qiao2023a,
-  title = {Automated Mixing of Maximally Localized {{Wannier}} Functions into Target Manifolds},
-  author = {Qiao, Junfeng and Pizzi, Giovanni and Marzari, Nicola},
-  year = {2023},
-  month = oct,
+@article{Nguyen2016,
+  title = {First-{{Principles Photoemission Spectroscopy}} of {{DNA}} and {{RNA Nucleobases}} from {{Koopmans-Compliant Functionals}}},
+  author = {Nguyen, Ngoc Linh and Borghi, Giovanni and Ferretti, Andrea and Marzari, Nicola},
+  year = {2016},
+  month = aug,
+  journal = {J. Chem. Theory Comput.},
+  volume = {12},
+  number = {8},
+  pages = {3948--3958},
+  publisher = {American Chemical Society},
+  issn = {15499626},
+  doi = {10.1021/acs.jctc.6b00145},
+  urldate = {2020-04-20},
+  abstract = {The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques that are able to accurately predict spectral properties. In this work, we employ Koopmans-compliant functionals, constructed to enforce piecewise linearity in approximate density functionals, to calculate the structural and electronic properties of DNA and RNA nucleobases. Our results show that not only ionization potentials and electron affinities are accurately predicted with mean absolute errors of {$<$}0.1 eV, but also that calculated photoemission spectra are in excellent agreement with experimental ultraviolet photoemission spectra. In particular, the role and contribution of different tautomers to the photoemission spectra are highlighted and discussed in detail. The structural properties of nucleobases are also investigated, showing an improved description with respect to local and semilocal density-functional theory. Methodologically, our results further consolidate the role of Koopmans-compliant functionals in providing, through orbital-density-dependent potentials, accurate electronic and spectral properties.}
+}
+
+@article{Nguyen2018,
+  title = {Koopmans-Compliant Spectral Functionals for Extended Systems},
+  author = {Nguyen, Ngoc Linh and Colonna, Nicola and Ferretti, Andrea and Marzari, Nicola},
+  year = {2018},
+  month = may,
+  journal = {Phys. Rev. X},
+  volume = {8},
+  number = {2},
+  pages = {021051},
+  publisher = {American Physical Society},
+  issn = {2160-3308},
+  doi = {10.1103/PhysRevX.8.021051},
+  urldate = {2019-03-23}
+}
+
+@article{Pederson1984,
+  title = {Local-density {{Hartree}}--{{Fock}} Theory of Electronic States of Molecules with Self-interaction Correction},
+  author = {Pederson, Mark R. and Heaton, Richard A. and Lin, Chun C.},
+  year = {1984},
+  month = mar,
+  journal = {J. Chem. Phys.},
+  volume = {80},
+  number = {5},
+  pages = {1972--1975},
+  publisher = {American Institute of Physics},
+  issn = {0021-9606},
+  doi = {10.1063/1.446959},
+  urldate = {2019-03-23},
+  abstract = {A scheme for incorporating the self-interaction correction (SIC) to the local density approximation of the Hartree--Fock theory of electronic structure of molecules is presented. This method is applied to the N2 molecule and the resulting orbital energies and total energy are in good agreement with the Hartree--Fock values.},
+  keywords = {ELECTRONIC STRUCTURE,HARTREEFOCK METHOD,MOLECULES,NITROGEN}
+}
+
+@article{Prandini2018,
+  title = {Precision and Efficiency in Solid-State Pseudopotential Calculations},
+  author = {Prandini, Gianluca and Marrazzo, Antimo and Castelli, Ivano E. and Mounet, Nicolas and Marzari, Nicola},
+  year = {2018},
+  month = dec,
   journal = {npj Comput Mater},
-  volume = {9},
-  pages = {206},
+  volume = {4},
+  number = {1},
+  pages = {1--13},
+  publisher = {Nature Publishing Group},
   issn = {2057-3960},
-  doi = {10.1038/s41524-023-01147-9},
-  urldate = {2023-11-23},
-  abstract = {Maximally localized Wannier functions (MLWFs) are widely used in electronic-structure calculations. We have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals; these describe accurately both the occupied states and the complementary unoccupied ones. For many applications, it is required to use MLWFs that describe instead certain target groups of bands: the valence or the conduction bands, or correlated manifolds. Here, we start from these tight-binding sets of MLWFs, and mix them using a combination of parallel transport and maximal localization to construct manifold-remixed Wannier functions (MRWFs): these are orthogonal sets of MLWFs that fully and only span desired target submanifolds. The algorithm is simple and robust, and is showcased here in reference applications (silicon, MoS2, and SrVO3) and in a mid-throughput study of 77 insulators.},
-  copyright = {2023 The Author(s)},
+  doi = {10.1038/s41524-018-0127-2},
+  urldate = {2022-02-17},
+  abstract = {Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on several independent criteria including verification against all-electron equations of state and plane-wave convergence tests for phonon frequencies, band structure, cohesive energy and pressure. Adopting these criteria we obtain curated pseudopotential libraries (named SSSP or standard solid-state pseudopotential libraries), that we target for high-throughput materials screening (``SSSP efficiency'') and high-precision materials modelling (``SSSP precision''). This latter scores highest among open-source pseudopotential libraries available in the {$\Delta$}-factor test of equations of states of elemental solids.},
+  copyright = {2018 The Author(s)},
   langid = {english},
-  keywords = {Electronic properties and materials,Electronic structure}
+  keywords = {Computational methods,Electronic structure}
 }
 
 @article{Qiao2023,
@@ -494,21 +416,115 @@ @article{Qiao2023
   keywords = {Computational methods,Electronic structure}
 }
 
-@article{Linscott2023,
-  title = {Koopmans: {{An Open-Source Package}} for {{Accurately}} and {{Efficiently Predicting Spectral Properties}} with {{Koopmans Functionals}}},
-  shorttitle = {Koopmans},
-  author = {Linscott, Edward B. and Colonna, Nicola and De Gennaro, Riccardo and Nguyen, Ngoc Linh and Borghi, Giovanni and Ferretti, Andrea and Dabo, Ismaila and Marzari, Nicola},
+@article{Qiao2023a,
+  title = {Automated Mixing of Maximally Localized {{Wannier}} Functions into Target Manifolds},
+  author = {Qiao, Junfeng and Pizzi, Giovanni and Marzari, Nicola},
   year = {2023},
   month = oct,
+  journal = {npj Comput Mater},
+  volume = {9},
+  pages = {206},
+  issn = {2057-3960},
+  doi = {10.1038/s41524-023-01147-9},
+  urldate = {2023-11-23},
+  abstract = {Maximally localized Wannier functions (MLWFs) are widely used in electronic-structure calculations. We have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals; these describe accurately both the occupied states and the complementary unoccupied ones. For many applications, it is required to use MLWFs that describe instead certain target groups of bands: the valence or the conduction bands, or correlated manifolds. Here, we start from these tight-binding sets of MLWFs, and mix them using a combination of parallel transport and maximal localization to construct manifold-remixed Wannier functions (MRWFs): these are orthogonal sets of MLWFs that fully and only span desired target submanifolds. The algorithm is simple and robust, and is showcased here in reference applications (silicon, MoS2, and SrVO3) and in a mid-throughput study of 77 insulators.},
+  copyright = {2023 The Author(s)},
+  langid = {english},
+  keywords = {Electronic properties and materials,Electronic structure}
+}
+
+@article{Scherpelz2016,
+  title = {Implementation and {{Validation}} of {{Fully Relativistic GW Calculations}}: {{Spin}}--{{Orbit Coupling}} in {{Molecules}}, {{Nanocrystals}}, and {{Solids}}},
+  shorttitle = {Implementation and {{Validation}} of {{Fully Relativistic GW Calculations}}},
+  author = {Scherpelz, Peter and Govoni, Marco and Hamada, Ikutaro and Galli, Giulia},
+  year = {2016},
+  month = aug,
   journal = {J. Chem. Theory Comput.},
-  volume = {19},
-  number = {20},
-  pages = {7097--7111},
+  volume = {12},
+  number = {8},
+  pages = {3523--3544},
   publisher = {American Chemical Society},
   issn = {1549-9618},
-  doi = {10.1021/acs.jctc.3c00652},
-  urldate = {2024-03-05},
-  abstract = {Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity condition to the entire electronic manifold, ensuring that orbital energies match the corresponding electron removal/addition energy differences (in contrast to semilocal DFT, where a mismatch between the two lies at the heart of the band gap problem and, more generally, the unreliability of Kohn--Sham orbital energies). This strategy has proven to be very powerful, yielding molecular orbital energies and solid-state band structures with comparable accuracy to many-body perturbation theory but at greatly reduced computational cost while preserving a functional formulation. This paper reviews the theory of Koopmans functionals, discusses the algorithms necessary for their implementation, and introduces koopmans, an open-source package that contains all of the code and workflows needed to perform Koopmans functional calculations and obtain reliable spectral properties of molecules and materials.}
+  doi = {10.1021/acs.jctc.6b00114},
+  urldate = {2022-02-17},
+  abstract = {We present an implementation of G0W0 calculations including spin--orbit coupling (SOC) enabling investigations of large systems, with thousands of electrons, and we discuss results for molecules, solids, and nanocrystals. Using a newly developed set of molecules with heavy elements (called GW-SOC81), we find that, when based upon hybrid density functional calculations, fully relativistic (FR) and scalar-relativistic (SR) G0W0 calculations of vertical ionization potentials both yield excellent performance compared to experiment, with errors below 1.9\%. We demonstrate that while SR calculations have higher random errors, FR calculations systematically underestimate the VIP by 0.1 to 0.2 eV. We further verify that SOC effects may be well approximated at the FR density functional level and then added to SR G0W0 results for a broad class of systems. We also address the use of different root-finding algorithms for the G0W0 quasiparticle equation and the significant influence of including d electrons in the valence partition of the pseudopotential for G0W0 calculations. Finally, we present statistical analyses of our data, highlighting the importance of separating definitive improvements from those that may occur by chance due to a limited number of samples. We suggest the statistical analyses used here will be useful in the assessment of the accuracy of a large variety of electronic structure methods.}
+}
+
+@article{Schlipf2015,
+  title = {Optimization Algorithm for the Generation of {{ONCV}} Pseudopotentials},
+  author = {Schlipf, Martin and Gygi, Fran{\c c}ois},
+  year = {2015},
+  month = nov,
+  journal = {Computer Physics Communications},
+  volume = {196},
+  pages = {36--44},
+  issn = {0010-4655},
+  doi = {10.1016/j.cpc.2015.05.011},
+  urldate = {2021-07-09},
+  abstract = {We present an optimization algorithm to construct pseudopotentials and use it to generate a set of Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials for elements up to Z=83 (Bi) (excluding Lanthanides). We introduce a quality function that assesses the agreement of a pseudopotential calculation with all-electron FLAPW results, and the necessary plane-wave energy cutoff. This quality function allows us to use a Nelder--Mead optimization algorithm on a training set of materials to optimize the input parameters of the pseudopotential construction for most of the periodic table. We control the accuracy of the resulting pseudopotentials on a test set of materials independent of the training set. We find that the automatically constructed pseudopotentials (http://www.quantum-simulation.org) provide a good agreement with the all-electron results obtained using the FLEUR code with a plane-wave energy cutoff of approximately 60 Ry.},
+  keywords = {All-electron calculation,Condensed matter,Density functional theory,Plane wave,Pseudopotential}
+}
+
+@article{Schubert2023,
+  title = {Testing {{Koopmans}} Spectral Functionals on the Analytically Solvable {{Hooke}}'s Atom},
+  author = {Schubert, Yannick and Marzari, Nicola and Linscott, Edward},
+  year = {2023},
+  month = apr,
+  journal = {The Journal of Chemical Physics},
+  volume = {158},
+  number = {14},
+  pages = {144113},
+  issn = {0021-9606},
+  doi = {10.1063/5.0138610},
+  urldate = {2023-04-20},
+  abstract = {Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their Kohn--Sham density-functional theory counterparts, as demonstrated in earlier works on benchmarks of molecules and bulk systems. This work is a complementary study where---instead of comparing against real, many-electron systems---we test Koopmans spectral functionals on Hooke's atom, a toy two-electron system that has analytical solutions for particular strengths of its harmonic confining potential. As these calculations clearly illustrate, Koopmans spectral functionals do an excellent job of describing Hooke's atom across a range of confining potential strengths. This work also provides broader insights into the features and capabilities of Koopmans spectral functionals more generally.}
+}
+
+@article{Skone2016,
+  title = {Nonempirical Range-Separated Hybrid Functionals for Solids and Molecules},
+  author = {Skone, Jonathan H. and Govoni, Marco and Galli, Giulia},
+  year = {2016},
+  month = jun,
+  journal = {Phys. Rev. B},
+  volume = {93},
+  number = {23},
+  pages = {235106},
+  publisher = {American Physical Society},
+  issn = {24699969},
+  doi = {10.1103/PhysRevB.93.235106},
+  urldate = {2020-05-10},
+  abstract = {Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. Here we introduce a range-separated (RS) version of DDH functionals where short- and long-range components are matched using system-dependent, nonempirical parameters. We show that RS-DDHs yield accurate electronic properties of inorganic and organic solids, including energy gaps and absolute ionization potentials. Furthermore we show that these functionals may be generalized to finite systems.}
+}
+
+@article{vanSetten2018,
+  title = {The {{PseudoDojo}}: {{Training}} and Grading a 85 Element Optimized Norm-Conserving Pseudopotential Table},
+  shorttitle = {The {{PseudoDojo}}},
+  author = {{van Setten}, M. J. and Giantomassi, M. and Bousquet, E. and Verstraete, M. J. and Hamann, D. R. and Gonze, X. and Rignanese, G. -M.},
+  year = {2018},
+  month = may,
+  journal = {Computer Physics Communications},
+  volume = {226},
+  pages = {39--54},
+  issn = {0010-4655},
+  doi = {10.1016/j.cpc.2018.01.012},
+  urldate = {2022-07-29},
+  abstract = {First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two approximations are usually introduced: core electrons are frozen and the diverging Coulomb potential near the nucleus is replaced by a smoother expression. The norm-conserving pseudopotential was the first successful method to apply these approximations in a fully ab initio way. Later on, more efficient and more exact approaches were developed based on the ultrasoft and the projector augmented wave formalisms. These formalisms are however more complex and developing new features in these frameworks is usually more difficult than in the norm-conserving framework. Most of the existing tables of norm-conserving pseudopotentials, generated long ago, do not include the latest developments, are not systematically tested or are not designed primarily for high precision. In this paper, we present our PseudoDojo framework for developing and testing full tables of pseudopotentials, and demonstrate it with a new table generated with the ONCVPSP approach. The PseudoDojo is an open source project, building on the AbiPy package, for developing and systematically testing pseudopotentials. At present it contains 7 different batteries of tests executed with ABINIT, which are performed as a function of the energy cutoff. The results of these tests are then used to provide hints for the energy cutoff for actual production calculations. Our final set contains 141 pseudopotentials split into a standard and a stringent accuracy table. In total around 70,000 calculations were performed to test the pseudopotentials. The process of developing the final table led to new insights into the effects of both the core-valence partitioning and the non-linear core corrections on the stability, convergence, and transferability of norm-conserving pseudopotentials. The PseudoDojo hence provides a set of pseudopotentials and general purpose tools for further testing and development, focusing on highly accurate calculations and their use in the development of ab initio packages. The pseudopotential files are available on the PseudoDojo web-interface pseudo-dojo.org under the name NC (ONCVPSP) v0.4 in the psp8, UPF2, and PSML 1.1 formats. The webinterface also provides the inputs, which are compatible with the 3.3.1 and higher versions of ONCVPSP. All tests have been performed with ABINIT 8.4.},
+  langid = {english},
+  keywords = {Density functional theory,Electronic structure,First-principles calculation,Pseudopotential}
+}
+
+@article{Wing2021,
+  title = {Band Gaps of Crystalline Solids from {{Wannier-localization}}--Based Optimal Tuning of a Screened Range-Separated Hybrid Functional},
+  author = {Wing, Dahvyd and Ohad, Guy and Haber, Jonah B. and Filip, Marina R. and Gant, Stephen E. and Neaton, Jeffrey B. and Kronik, Leeor},
+  year = {2021},
+  month = aug,
+  journal = {Proc. Natl. Acad. Sci.},
+  volume = {118},
+  number = {34},
+  pages = {e2104556118},
+  publisher = {Proceedings of the National Academy of Sciences},
+  doi = {10.1073/pnas.2104556118},
+  urldate = {2022-03-22}
 }
 
 @misc{zotero-3342,
@@ -516,19 +532,3 @@ @misc{zotero-3342
   url = {https://pubs.acs.org/doi/full/10.1021/acs.jctc.2c00161},
   urldate = {2024-03-05}
 }
-
-@article{Colonna2022,
-  title = {Koopmans {{Spectral Functionals}} in {{Periodic Boundary Conditions}}},
-  author = {Colonna, Nicola and De Gennaro, Riccardo and Linscott, Edward and Marzari, Nicola},
-  year = {2022},
-  month = sep,
-  journal = {J. Chem. Theory Comput.},
-  volume = {18},
-  number = {9},
-  pages = {5435--5448},
-  publisher = {American Chemical Society},
-  issn = {1549-9618},
-  doi = {10.1021/acs.jctc.2c00161},
-  urldate = {2024-03-05},
-  abstract = {Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically motivated orbital-density-dependent corrections. These corrections act on a set of localized orbitals that, in periodic systems, resemble maximally localized Wannier functions. At variance with the original, direct supercell implementation (Phys. Rev. X 2018, 8, 021051), we discuss here (i) the complex but efficient formalism required for a periodic boundary code using explicit Brillouin zone sampling and (ii) the calculation of the screened Koopmans corrections with density functional perturbation theory. In addition to delivering improved scaling with system size, the present development makes the calculation of band structures with Koopmans functionals straightforward. The implementation in the open-source Quantum ESPRESSO distribution and the application to prototypical insulating and semiconducting systems are presented and discussed.}
-}
diff --git a/src/koopmans/utils/__init__.py b/src/koopmans/utils/__init__.py
index 0afdd764f..ab84f6690 100644
--- a/src/koopmans/utils/__init__.py
+++ b/src/koopmans/utils/__init__.py
@@ -19,7 +19,7 @@
                   read_atomic_positions, read_cell_parameters,
                   read_wannier_hr_file, write_alpha_file)
 from ._misc import flatten, update_nested_dict
-from ._os import (HasDirectoryAttr, chdir, copy, find_executable,
+from ._os import (HasDirectoryInfo, chdir, copy, find_executable,
                   get_binary_content, get_content, remove, set_env, symlink,
                   symlink_tree, system_call, write_binary_content,
                   write_content)
diff --git a/src/koopmans/utils/_io.py b/src/koopmans/utils/_io.py
index fbd829a2e..300a27879 100644
--- a/src/koopmans/utils/_io.py
+++ b/src/koopmans/utils/_io.py
@@ -23,7 +23,7 @@
 from koopmans.cell import (cell_follows_qe_conventions, cell_to_parameters,
                            parameters_to_cell)
 
-from ._os import HasDirectoryAttr, get_content
+from ._os import HasDirectoryInfo, get_content
 
 
 def parse_dict(dct: Dict[str, Any]) -> Dict[str, Any]:
@@ -293,7 +293,7 @@ def parse_wannier_hr_file_contents(lines: List[str]) -> Tuple[np.ndarray, np.nda
     return hr_np, rvect_np, weights, nrpts
 
 
-def read_wannier_hr_file(src_calc_path: Tuple[HasDirectoryAttr, Path]) -> Tuple[np.ndarray, np.ndarray, List[int], int]:
+def read_wannier_hr_file(src_calc_path: Tuple[HasDirectoryInfo, Path]) -> Tuple[np.ndarray, np.ndarray, List[int], int]:
     lines = get_content(*src_calc_path)
     return parse_wannier_hr_file_contents(lines)
 
diff --git a/src/koopmans/utils/_os.py b/src/koopmans/utils/_os.py
index 1911d42dd..e3782f8a8 100644
--- a/src/koopmans/utils/_os.py
+++ b/src/koopmans/utils/_os.py
@@ -186,15 +186,19 @@ def is_exe(fpath: Path):
 
 
 @runtime_checkable
-class HasDirectoryAttr(Protocol):
+class HasDirectoryInfo(Protocol):
     directory: Path | None
 
+    @property
+    def absolute_directory(self) -> Path | None:
+        ...
 
-def get_binary_content(source: HasDirectoryAttr, relpath: Path | str) -> bytes:
+
+def get_binary_content(source: HasDirectoryInfo, relpath: Path | str) -> bytes:
     if isinstance(relpath, str):
         relpath = Path(relpath)
-    assert source.directory is not None
-    with open(source.directory / relpath, "rb") as f:
+    assert source.absolute_directory is not None
+    with open(source.absolute_directory / relpath, "rb") as f:
         flines = f.read()
     return flines
 
@@ -207,14 +211,14 @@ def write_binary_content(dst_file: Path | str, merged_filecontents: bytes):
         f.write(merged_filecontents)
 
 
-def get_content(source: HasDirectoryAttr | None, relpath: Path | str) -> List[str]:
+def get_content(source: HasDirectoryInfo | None, relpath: Path | str) -> List[str]:
     if isinstance(relpath, str):
         relpath = Path(relpath)
 
-    if source is None or source.directory is None:
+    if source is None or source.absolute_directory is None:
         full_path = relpath
     else:
-        full_path = source.directory / relpath
+        full_path = source.absolute_directory / relpath
 
     with open(full_path, "r") as f:
         flines = [l.strip('\n') for l in f.readlines()]
diff --git a/src/koopmans/workflows/_convergence.py b/src/koopmans/workflows/_convergence.py
index 7335166e8..28afa3b56 100644
--- a/src/koopmans/workflows/_convergence.py
+++ b/src/koopmans/workflows/_convergence.py
@@ -452,9 +452,8 @@ def ConvergenceWorkflowFactory(subworkflow: Workflow, observable: Union[str, Cal
     observable = ObservableFactory(observable) if isinstance(
         observable, str) else observable
 
-    # Co-opt the fromparent method to use the subworkflow settings to initialize a ConvergenceWorkflow...
-    wf = ConvergenceWorkflow.fromparent(subworkflow, subworkflow_class=subworkflow.__class__,
+    # Initialize a ConvergenceWorkflow copying the settings of the subworkflow
+    wf = ConvergenceWorkflow.from_other(subworkflow, subworkflow_class=subworkflow.__class__,
                                         variables=variables, observable=observable, threshold=threshold)
-    wf.parent = None  # ... making sure we remove wf.parent immediately afterwards
 
     return wf
diff --git a/src/koopmans/workflows/_dft.py b/src/koopmans/workflows/_dft.py
index 154e4a123..ffeec47e9 100644
--- a/src/koopmans/workflows/_dft.py
+++ b/src/koopmans/workflows/_dft.py
@@ -122,55 +122,49 @@ def _run(self):
 
         self.print('DFT bandstructure workflow', style='heading')
 
-        if self.parameters.from_scratch:
-            path = Path('dft_bands')
-            if path.exists():
-                shutil.rmtree(path)
-
-        with utils.chdir('dft_bands'):
-            # First, a scf calculation
-            calc_scf = self.new_calculator('pw', nbnd=None)
-            calc_scf.prefix = 'scf'
-            self.run_calculator(calc_scf)
-
-            # Second, a bands calculation
-            if self.parameters.calculate_bands in (True, None):
-                calc_bands = self.new_calculator('pw', calculation='bands', kpts=self.kpoints.path)
-            else:
-                calc_bands = self.new_calculator('pw', calculation='nscf')
-            calc_bands.prefix = 'bands'
-            self.link(calc_scf, calc_scf.parameters.outdir, calc_bands, calc_bands.parameters.outdir, symlink=True)
-            self.run_calculator(calc_bands)
-
-            # Prepare the band structure for plotting
-            if self.parameters.calculate_bands in (True, None):
-                bs = calc_bands.results['band structure']
-
-            # Third, a PDOS calculation
-            pseudos = [pseudopotentials.read_pseudo_file(calc_scf.directory / calc_scf.parameters.pseudo_dir / p) for p in
-                       self.pseudopotentials.values()]
-            if all([int(p['header'].get('number_of_wfc', 0)) > 0 for p in pseudos]):
-                calc_dos = self.new_calculator('projwfc')
-                self.link(calc_bands, calc_bands.parameters.outdir, calc_dos, calc_dos.parameters.outdir, symlink=True)
-                self.run_calculator(calc_dos)
-
-                # Prepare the DOS for plotting
-                dos = copy.deepcopy(calc_dos.results['dos'])
-                if self.parameters.calculate_bands in (True, None):
-                    dos._energies -= bs.reference
-            else:
-                # Skip if the pseudos don't have the requisite PP_PSWFC blocks
-                utils.warn('Some of the pseudopotentials do not have `PP_PSWFC` blocks, which means a projected DOS '
-                           'calculation is not possible. Skipping...')
-                dos = None
-
-            # Plot the band structure and DOS
+        # First, a scf calculation
+        calc_scf = self.new_calculator('pw', nbnd=None)
+        calc_scf.prefix = 'scf'
+        self.run_calculator(calc_scf)
+
+        # Second, a bands calculation
+        if self.parameters.calculate_bands in (True, None):
+            calc_bands = self.new_calculator('pw', calculation='bands', kpts=self.kpoints.path)
+        else:
+            calc_bands = self.new_calculator('pw', calculation='nscf')
+        calc_bands.prefix = 'bands'
+        self.link(calc_scf, calc_scf.parameters.outdir, calc_bands, calc_bands.parameters.outdir, symlink=True)
+        self.run_calculator(calc_bands)
+
+        # Prepare the band structure for plotting
+        if self.parameters.calculate_bands in (True, None):
+            bs = calc_bands.results['band structure']
+
+        # Third, a PDOS calculation
+        pseudos = [pseudopotentials.read_pseudo_file(calc_scf.directory / calc_scf.parameters.pseudo_dir / p) for p in
+                   self.pseudopotentials.values()]
+        if all([int(p['header'].get('number_of_wfc', 0)) > 0 for p in pseudos]):
+            calc_dos = self.new_calculator('projwfc')
+            self.link(calc_bands, calc_bands.parameters.outdir, calc_dos, calc_dos.parameters.outdir, symlink=True)
+            self.run_calculator(calc_dos)
+
+            # Prepare the DOS for plotting
+            dos = copy.deepcopy(calc_dos.results['dos'])
             if self.parameters.calculate_bands in (True, None):
-                self.plot_bandstructure(bs.subtract_reference(), dos)
-            elif dos is not None:
-                workflow_name = self.__class__.__name__.lower()
-                filename = f'{self.name}_{workflow_name}_dos'
-                dos.plot(filename=filename)
+                dos._energies -= bs.reference
+        else:
+            # Skip if the pseudos don't have the requisite PP_PSWFC blocks
+            utils.warn('Some of the pseudopotentials do not have `PP_PSWFC` blocks, which means a projected DOS '
+                       'calculation is not possible. Skipping...')
+            dos = None
+
+        # Plot the band structure and DOS
+        if self.parameters.calculate_bands in (True, None):
+            self.plot_bandstructure(bs.subtract_reference(), dos)
+        elif dos is not None:
+            workflow_name = self.__class__.__name__.lower()
+            filename = f'{self.name}_{workflow_name}_dos'
+            dos.plot(filename=filename)
 
     def new_calculator(self,
                        calc_type: str,
diff --git a/src/koopmans/workflows/_folding.py b/src/koopmans/workflows/_folding.py
index 54e8374dc..861daa094 100644
--- a/src/koopmans/workflows/_folding.py
+++ b/src/koopmans/workflows/_folding.py
@@ -67,7 +67,6 @@ def _run(self):
                     pass
 
                 # Link the input files
-                assert isinstance(calc_w2k, utils.HasDirectoryAttr)
                 self.link(*self._hr_files[block.name], calc_w2k, self._hr_files[block.name].name, symlink=True)
                 self.link(*self._nscf_outdir, calc_w2k, calc_w2k.parameters.outdir, recursive_symlink=True)
                 self.link(w90_pp_calc, w90_pp_calc.prefix + '.nnkp', calc_w2k,
diff --git a/src/koopmans/workflows/_koopmans_dscf.py b/src/koopmans/workflows/_koopmans_dscf.py
index 07498bef1..f376dbd84 100644
--- a/src/koopmans/workflows/_koopmans_dscf.py
+++ b/src/koopmans/workflows/_koopmans_dscf.py
@@ -475,7 +475,7 @@ def _run(self):
 
         # Link the temporary files from the previous calculation
         previous_calc = self._previous_n_electron_calculation
-        assert isinstance(previous_calc, utils.HasDirectoryAttr)
+        assert isinstance(previous_calc, utils.HasDirectoryInfo)
         self.link(previous_calc, previous_calc.write_directory, trial_calc,
                   trial_calc.read_directory, recursive_symlink=True)
 
diff --git a/src/koopmans/workflows/_workflow.py b/src/koopmans/workflows/_workflow.py
index a16bbc3cf..f1455ca1f 100644
--- a/src/koopmans/workflows/_workflow.py
+++ b/src/koopmans/workflows/_workflow.py
@@ -114,6 +114,7 @@ class Workflow(ABC):
     snapshots: List[Atoms]
     version: str
     _step_counter: int
+    _base_directory: Path | None
 
     def __init__(self, atoms: Atoms,
                  pseudopotentials: Dict[str, str] = {},
@@ -129,6 +130,7 @@ def __init__(self, atoms: Atoms,
                  snapshots: Optional[List[Atoms]] = None,
                  autogenerate_settings: bool = True,
                  version: Optional[str] = None,
+                 parent: Optional[Workflow] = None,
                  **kwargs: Dict[str, Any]):
 
         # Parsing parameters
@@ -149,6 +151,10 @@ def __init__(self, atoms: Atoms,
         self.steps: List = []
         self.silent = False
         self.print_indent = 0
+        self.parent = parent
+        self._base_directory = None
+        if self.parent is None:
+            self.base_directory = Path()
 
         if projections is None:
             proj_list: List[List[Any]]
@@ -259,7 +265,9 @@ def __init__(self, atoms: Atoms,
             else:
                 pseudo_dir = Path.cwd()
 
-            self.parameters.pseudo_directory = pseudo_dir.resolve()
+            self.parameters.pseudo_directory = os.path.relpath(pseudo_dir.resolve(), self.base_directory)
+        elif self.parameters.pseudo_directory.is_absolute():
+            self.parameters.pseudo_directory = os.path.relpath(self.parameters.pseudo_directory, self.base_directory)
 
         # For any kwargs...
         for key, value in kwargs.items():
@@ -278,7 +286,8 @@ def __init__(self, atoms: Atoms,
         if self.parameters.task != 'ui' and autogenerate_settings:
             # Automatically calculate nelec/nelup/neldw/etc using information contained in the pseudopotential files
             # and the kcp settings
-            nelec = nelec_from_pseudos(self.atoms, self.pseudopotentials, self.parameters.pseudo_directory)
+            nelec = nelec_from_pseudos(self.atoms, self.pseudopotentials,
+                                       self.base_directory / self.parameters.pseudo_directory)
             tot_charge = calculator_parameters['kcp'].get('tot_charge', 0)
             nelec -= tot_charge
             tot_mag = calculator_parameters['kcp'].get('tot_magnetization', nelec % 2)
@@ -292,7 +301,7 @@ def __init__(self, atoms: Atoms,
                 for i, (l, p) in enumerate(self.pseudopotentials.items()):
                     # ASE uses absolute values; QE uses the fraction of the valence
                     frac_mag = calculator_parameters['kcp'].pop(f'starting_magnetization({i + 1})', 0.0)
-                    valence = valence_from_pseudo(p, self.parameters.pseudo_directory)
+                    valence = valence_from_pseudo(p, self.base_directory / self.parameters.pseudo_directory)
                     starting_magmoms[l] = frac_mag * valence
                 atoms.set_initial_magnetic_moments([starting_magmoms[l] for l in labels])
             elif tot_mag != 0:
@@ -345,9 +354,6 @@ def __init__(self, atoms: Atoms,
                        'a calculator. This calculator will be ignored.')
             self.atoms.calc = None
 
-        # Initialize self.parent
-        self.parent: Optional[Workflow] = None
-
         # Adding excluded_bands info to self.projections
         if self.projections:
             for spin in ['up', 'down', None]:
@@ -366,6 +372,9 @@ def __init__(self, atoms: Atoms,
         # Initialize the step counter
         self._step_counter = 0
 
+        # Initialize the directories
+        self._directory: Path | None = None
+
     def __eq__(self, other: Any):
         if isinstance(other, Workflow):
             return self.__dict__ == other.__dict__
@@ -387,6 +396,45 @@ def __repr__(self):
         entries.append(f'pseudopotentials={self.pseudopotentials}')
         return f'{self.__class__.__name__}(' + ',\n   '.join(entries) + ')'
 
+    @property
+    def base_directory(self) -> Path:
+        if self.parent is not None:
+            return self.parent.base_directory
+        else:
+            if self._base_directory is None:
+                raise ValueError(f'{self.__class__.__name__}.base_directory has not been set')
+            return self._base_directory
+
+    @base_directory.setter
+    def base_directory(self, value: Path):
+        if self.parent is not None:
+            raise ValueError(f'{self.__class__.__name__}.base_directory should not be set for subworkflows')
+
+        # If the pseudo_directory has been set, we need to update it too (because it is stored relative to base_directory)
+        if self.parameters.pseudo_directory is not None and self._base_directory is not None:
+            abs_pseudo_dir = (self._base_directory / self.parameters.pseudo_directory).resolve()
+            assert abs_pseudo_dir.is_dir()
+            self.parameters.pseudo_directory = os.path.relpath(abs_pseudo_dir, value.resolve())
+
+        self._base_directory = value.resolve()
+
+    @property
+    def directory(self) -> Path:
+        if self.parent is None:
+            return Path()
+        elif self._directory is None:
+            raise ValueError(f'{self.__class__.__name__}.directory has not been set')
+        return self._directory
+
+    @directory.setter
+    def directory(self, value: Path):
+        if value.is_absolute():
+            raise ValueError(
+                f'{self.__class__.__name__} directory must be relative to the {self.__class__.__name__},base directory')
+        if len(value.parents) > 1:
+            raise ValueError(f'{self.__class__.__name__}.directory should not be a nested directory')
+        self._directory = value
+
     def run(self, subdirectory: Optional[str] = None, from_scratch: Optional[bool] = None) -> None:
         '''
         Run the workflow
@@ -408,9 +456,11 @@ def run(self, subdirectory: Optional[str] = None, from_scratch: Optional[bool] =
                 self._run()
         else:
             if subdirectory:
+                self.base_directory = Path(subdirectory).resolve()
                 with utils.chdir(subdirectory):
                     self._run()
             else:
+                self.base_directory = Path.cwd().resolve()
                 self._run()
 
         self.print_conclusion()
@@ -435,6 +485,41 @@ def pseudopotentials(self) -> Dict[str, str]:
     def pseudopotentials(self, value: Dict[str, str]):
         self._pseudopotentials = value
 
+    def get_step_by_uuid(self, uuid: str):
+        for step in self.steps:
+            if step.uuid == uuid:
+                return step
+        raise ValueError(f'No step with UUID {uuid} found in workflow')
+
+    @classmethod
+    def from_other(cls: Type[W], other_wf: Workflow, **kwargs: Any) -> W:
+        '''
+        Creates a new workflow from another workflow, copying all settings and parameters
+        e.g.
+        >>> new_wf = Workflow.fromother(other_wf)
+        '''
+
+        parameters = copy.deepcopy(other_wf.parameters)
+
+        # Pass the pseudo_directory as an absolute path
+        if 'pseudo_directory' in parameters:
+            parameters['pseudo_directory'] = other_wf.base_directory / parameters['pseudo_directory']
+
+        for k in list(kwargs):
+            if parameters.is_valid(k):
+                parameters[k] = kwargs.pop(k)
+        kwargs.update(**dict(atoms=copy.deepcopy(other_wf.atoms),
+                             parameters=parameters,
+                             calculator_parameters=copy.deepcopy(other_wf.calculator_parameters),
+                             pseudopotentials=copy.deepcopy(other_wf.pseudopotentials),
+                             kpoints=copy.deepcopy(other_wf.kpoints),
+                             projections=other_wf.projections,
+                             plotting=copy.deepcopy(other_wf.plotting),
+                             ml=copy.deepcopy(other_wf.ml),
+                             ml_model=other_wf.ml_model))
+
+        return cls(**kwargs)
+
     @classmethod
     def fromparent(cls: Type[W], parent_wf: Workflow, **kwargs: Any) -> W:
         '''
@@ -442,24 +527,7 @@ def fromparent(cls: Type[W], parent_wf: Workflow, **kwargs: Any) -> W:
         e.g.
         >>> sub_wf = Workflow.fromparent(self)
         '''
-
-        parameters = copy.deepcopy(parent_wf.parameters)
-        parameter_kwargs = {k: v for k, v in kwargs.items() if parameters.is_valid(k)}
-        wf_kwargs = dict(atoms=copy.deepcopy(parent_wf.atoms),
-                         parameters=parameters,
-                         calculator_parameters=copy.deepcopy(parent_wf.calculator_parameters),
-                         pseudopotentials=copy.deepcopy(parent_wf.pseudopotentials),
-                         kpoints=copy.deepcopy(parent_wf.kpoints),
-                         projections=parent_wf.projections,
-                         plotting=copy.deepcopy(parent_wf.plotting),
-                         ml=copy.deepcopy(parent_wf.ml),
-                         ml_model=parent_wf.ml_model)
-        wf_kwargs.update(**{k: v for k, v in kwargs.items() if not parameters.is_valid(k)})
-        parameters.update(**parameter_kwargs)
-
-        child_wf = cls(**wf_kwargs)
-        child_wf.parent = parent_wf
-        return child_wf
+        return cls.from_other(other_wf=parent_wf, parent=parent_wf, **kwargs)
 
     def _run_sanity_checks(self):
         # Check internal consistency of workflow settings
@@ -566,13 +634,13 @@ def _run_sanity_checks(self):
             self.calculator_parameters['kcp'].do_wf_cmplx = True
 
         # Check pseudopotentials exist
-        if not os.path.isdir(self.parameters.pseudo_directory):
+        if not os.path.isdir(self.base_directory / self.parameters.pseudo_directory):
             raise NotADirectoryError(
-                f'The pseudopotential directory you provided (`{self.parameters.pseudo_directory}`) does not exist')
+                f'The pseudopotential directory you provided (`{self.base_directory / self.parameters.pseudo_directory}`) does not exist')
         if self.parameters.task != 'ui':
             for pseudo in self.pseudopotentials.values():
-                if not (self.parameters.pseudo_directory / pseudo).exists():
-                    raise FileNotFoundError(f'`{self.parameters.pseudo_directory / pseudo}` does not exist. Please '
+                if not (self.base_directory / self.parameters.pseudo_directory / pseudo).exists():
+                    raise FileNotFoundError(f'`{self.base_directory / self.parameters.pseudo_directory / pseudo}` does not exist. Please '
                                             'double-check your pseudopotential settings')
 
         # Make sanity checks for the ML model
@@ -674,7 +742,7 @@ def new_calculator(self,
             raise ValueError(f'Cound not find a calculator of type `{calc_type}`')
 
         # Merge calculator_parameters and kwargs, giving kwargs higher precedence
-        all_kwargs: Dict[str, Any] = {}
+        all_kwargs: Dict[str, Any] = {'parent': self}
         calculator_parameters = self.calculator_parameters[calc_type]
         all_kwargs.update(**calculator_parameters)
         all_kwargs.update(**kwargs)
@@ -710,7 +778,8 @@ def new_calculator(self,
         # Link the pseudopotentials if relevant
         if calculator_parameters.is_valid('pseudo_dir'):
             for pseudo in self.pseudopotentials.values():
-                self.link(None, self.parameters.pseudo_directory / pseudo, calc, Path('pseudopotentials') / pseudo)
+                self.link(None, self.base_directory / self.parameters.pseudo_directory /
+                          pseudo, calc, Path('pseudopotentials') / pseudo)
             calc.parameters.pseudo_dir = 'pseudopotentials'
 
         return calc
@@ -834,16 +903,16 @@ def _pre_run_calculator(self, qe_calc: calculators.Calc) -> bool:
         # Check that calc.directory was not set
         if qe_calc.directory is not None:
             raise ValueError(
-                f'`calc.directory` should not be set manually, but it was set to `{os.path.relpath(qe_calc.directory)}`')
+                f'`calc.directory` should not be set manually, but it was set to `{qe_calc.directory}`')
 
         # Prepend calc.directory with a counter
         self._step_counter += 1
-        qe_calc.directory = Path(f'{self._step_counter:02}-{qe_calc.prefix}').resolve()
+        qe_calc.directory = Path(f'{self._step_counter:02}-{qe_calc.prefix}')
 
         # Check that another calculation hasn't already been run in this directory
-        if any([calc.directory == qe_calc.directory for calc in self.calculations]):
+        if any([calc.absolute_directory == qe_calc.absolute_directory for calc in self.calculations]):
             raise ValueError(
-                f'A calculation has already been run in `{os.path.relpath(qe_calc.directory)}`; this should not happen')
+                f'A calculation has already been run in `{qe_calc.directory}`; this should not happen')
 
         # If an output file already exists, check if the run completed successfully
         if not self.parameters.from_scratch:
@@ -934,6 +1003,7 @@ def run_calculators(self, calcs: List[calculators.Calc]):
 
         calcs_to_run = []
         for calc in calcs:
+            calc.parent = self
             proceed = self._pre_run_calculator(calc)
             if proceed:
                 calcs_to_run.append(calc)
@@ -948,8 +1018,9 @@ def run_process(self, process: Process):
         Run a Process
         '''
 
+        process.parent = self
         self._step_counter += 1
-        process.directory = Path(f'{self._step_counter:02}-{process.name}').resolve()
+        process.directory = Path(f'{self._step_counter:02}-{process.name}')
 
         if not self.parameters.from_scratch and process.is_complete():
             self.print(f'- ⏭️  Not running `{os.path.relpath(process.directory)}` as it is already complete  ')
@@ -980,7 +1051,7 @@ def load_old_calculator(self, qe_calc: calculators.Calc) -> bool:
 
         return old_calc.is_complete()
 
-    def link(self, src_calc: utils.HasDirectoryAttr | None, src_path: Path | str, dest_calc: calculators.Calc, dest_path: Path | str, symlink=False, recursive_symlink=False, overwrite=False) -> None:
+    def link(self, src_calc: utils.HasDirectoryInfo | None, src_path: Path | str, dest_calc: calculators.Calc, dest_path: Path | str, symlink=False, recursive_symlink=False, overwrite=False) -> None:
         """Link a file from one calculator to another
 
         Paths must be provided relative to the the calculator's directory i.e. calc.directory, unless src_calc is None
@@ -1009,6 +1080,9 @@ def link(self, src_calc: utils.HasDirectoryAttr | None, src_path: Path | str, de
         if src_path.is_absolute() and src_calc is not None:
             raise ValueError(f'`src_path` in `{self.__class__.__name__}.link()` must be a relative path if a '
                              f'`src_calc` is provided')
+        if src_calc is None and not src_path.is_absolute():
+            raise ValueError(
+                f'`src_path` in `{self.__class__.__name__}.link()` must be an absolute path if `src_calc` is not provided')
         if dest_path.is_absolute():
             raise ValueError(f'`dest_path` in `{self.__class__.__name__}.link()` must be a relative path')
 
@@ -1071,16 +1145,9 @@ def _parent_context(self, subdirectory: Optional[str] = None,
             subdirectory_path = Path(f'{self.parent._step_counter:02}-{subdirectory}')
             if self.parameters.from_scratch and subdirectory_path.is_dir():
                 shutil.rmtree(subdirectory_path)
-            # Update directories
-            for key in self.calculator_parameters.keys():
-                params = self.calculator_parameters[key]
-                for setting in params.are_paths:
-                    if setting == 'pseudo_dir':
-                        continue
-                    path = getattr(params, setting, None)
-                    if path is not None and Path.cwd() in path.parents:
-                        new_path = subdirectory_path.resolve() / os.path.relpath(path)
-                        setattr(params, setting, new_path)
+
+            # Store the directory
+            self.directory = subdirectory_path
 
             # Run the workflow
             with utils.chdir(subdirectory_path):
@@ -1591,7 +1658,8 @@ def _teardown(self):
 
     def number_of_electrons(self, spin: Optional[str] = None) -> int:
         # Return the number of electrons in a particular spin channel
-        nelec_tot = nelec_from_pseudos(self.atoms, self.pseudopotentials, self.parameters.pseudo_directory)
+        nelec_tot = nelec_from_pseudos(self.atoms, self.pseudopotentials,
+                                       self.base_directory / self.parameters.pseudo_directory)
         pw_params = self.calculator_parameters['pw']
         if self.parameters.spin_polarized:
             nelec = nelec_tot - pw_params.get('tot_charge', 0)
diff --git a/tests/benchmarks/test_compute_power_spectrum_pr0/compute_power_spectrum.pkl b/tests/benchmarks/test_compute_power_spectrum_pr0/compute_power_spectrum.pkl
index 3bddc3885..2aa05a4fb 100644
Binary files a/tests/benchmarks/test_compute_power_spectrum_pr0/compute_power_spectrum.pkl and b/tests/benchmarks/test_compute_power_spectrum_pr0/compute_power_spectrum.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl
index 4d187f8db..285768e09 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index dbc63bbb6..71d5a3865 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index bb037fe42..ac3368d30 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl
index 7e1b9ed0b..add8b93f1 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/01-dftcp-ecutwfc-20_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl
index 74cc4f908..30d3d656a 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 33d4d4b6b..8a7bfed63 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index fea8629f3..058bb85b3 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl
index 9b94af14a..1a950fe28 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/02-dftcp-ecutwfc-20_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl
index 9b47048af..cf3420c3c 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index ea896afd7..54080bc0a 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 766a6f182..ee9ae3dd0 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl
index 591376d4c..84c507977 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/03-dftcp-ecutwfc-20_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl
index c0a93ec35..c264164c8 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 7f66c1972..c86ae59b8 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 8df8d6936..7aa47777c 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl
index c53917f49..19ab520ec 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/04-dftcp-ecutwfc-30_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl
index fea09cdf6..42f677e3b 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 327d75fd8..5491d28e9 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 890f22bcb..40cc76d54 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl
index fb7542eab..0acfafc7b 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/05-dftcp-ecutwfc-30_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl
index 31433e7b9..074b32052 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 88db622da..477694e85 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 1eefafe0d..a2cce99a9 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl
index 467f4314c..f0b93e8d2 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/06-dftcp-ecutwfc-30_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl
index ab9e71092..d4e3325fe 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 89e00d907..3aa38b2bb 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index d1d8cf2db..9bd9eb984 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl
index c59da8eb9..8f9bc529e 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/07-dftcp-ecutwfc-40_0-celldm1-18_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl
index 35b5e53d2..60e4d6767 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index 3a46c16f4..920319f45 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 6976f151c..8bf7eb570 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl
index 2f9fe11b7..a47d674a9 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/08-dftcp-ecutwfc-40_0-celldm1-19_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl
index 0a585658b..5022e52e9 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl and b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
index b6e8d173d..05ec7dd3d 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index a4c838300..9f8654b5c 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl
index 532c2b2b7..bd245cec2 100644
Binary files a/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl and b/tests/benchmarks/test_convergence_h2o0/09-dftcp-ecutwfc-40_0-celldm1-20_9/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/test_convert_files_from_spin_10/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_convert_files_from_spin_10/convert_files_from_spin1to2.pkl
index 5aa7233c2..e1e01aeb0 100644
Binary files a/tests/benchmarks/test_convert_files_from_spin_10/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_convert_files_from_spin_10/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_convert_files_from_spin_20/convert_files_from_spin2to1.pkl b/tests/benchmarks/test_convert_files_from_spin_20/convert_files_from_spin2to1.pkl
index 1aaa22c0f..10f950ce5 100644
Binary files a/tests/benchmarks/test_convert_files_from_spin_20/convert_files_from_spin2to1.pkl and b/tests/benchmarks/test_convert_files_from_spin_20/convert_files_from_spin2to1.pkl differ
diff --git a/tests/benchmarks/test_dftbands_si0/01-scf/scf.pkl b/tests/benchmarks/test_dftbands_si0/01-scf/scf.pkl
new file mode 100644
index 000000000..e7319bb8b
Binary files /dev/null and b/tests/benchmarks/test_dftbands_si0/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/01-scf/scf_metadata.json b/tests/benchmarks/test_dftbands_si0/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/01-scf/scf_metadata.json
rename to tests/benchmarks/test_dftbands_si0/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/test_dftbands_si0/02-bands/bands.pkl b/tests/benchmarks/test_dftbands_si0/02-bands/bands.pkl
new file mode 100644
index 000000000..0055ff640
Binary files /dev/null and b/tests/benchmarks/test_dftbands_si0/02-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/02-bands/bands_metadata.json b/tests/benchmarks/test_dftbands_si0/02-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/02-bands/bands_metadata.json
rename to tests/benchmarks/test_dftbands_si0/02-bands/bands_metadata.json
diff --git a/tests/benchmarks/test_dftbands_si0/03-projwfc/projwfc.pkl b/tests/benchmarks/test_dftbands_si0/03-projwfc/projwfc.pkl
new file mode 100644
index 000000000..05bf19eec
Binary files /dev/null and b/tests/benchmarks/test_dftbands_si0/03-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/projwfc_metadata.json b/tests/benchmarks/test_dftbands_si0/03-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/projwfc_metadata.json
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#1(Si)_wfc#1(s) b/tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#1(Si)_wfc#2(p) b/tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#2(Si)_wfc#1(s) b/tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#2(Si)_wfc#2(p) b/tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_tot b/tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_tot
similarity index 100%
rename from tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/si.pdos_tot
rename to tests/benchmarks/test_dftbands_si0/03-projwfc/si.pdos_tot
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/01-scf/scf.pkl b/tests/benchmarks/test_dftbands_si0/dft_bands/01-scf/scf.pkl
deleted file mode 100644
index 39f4b37e0..000000000
Binary files a/tests/benchmarks/test_dftbands_si0/dft_bands/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/02-bands/bands.pkl b/tests/benchmarks/test_dftbands_si0/dft_bands/02-bands/bands.pkl
deleted file mode 100644
index 9b3d26bce..000000000
Binary files a/tests/benchmarks/test_dftbands_si0/dft_bands/02-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/projwfc.pkl b/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/projwfc.pkl
deleted file mode 100644
index 4f99d9b38..000000000
Binary files a/tests/benchmarks/test_dftbands_si0/dft_bands/03-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/test_dftph_tio20/01-scf/scf.pkl b/tests/benchmarks/test_dftph_tio20/01-scf/scf.pkl
index ad7b37808..46a77954b 100644
Binary files a/tests/benchmarks/test_dftph_tio20/01-scf/scf.pkl and b/tests/benchmarks/test_dftph_tio20/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_dftph_tio20/02-eps/eps.pkl b/tests/benchmarks/test_dftph_tio20/02-eps/eps.pkl
index 08dc65925..4621b32e1 100644
Binary files a/tests/benchmarks/test_dftph_tio20/02-eps/eps.pkl and b/tests/benchmarks/test_dftph_tio20/02-eps/eps.pkl differ
diff --git a/tests/benchmarks/test_extract_coefficients_from0/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_extract_coefficients_from0/extract_coefficients_from_xml.pkl
index a62554466..40512afd3 100644
Binary files a/tests/benchmarks/test_extract_coefficients_from0/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_extract_coefficients_from0/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index ea1191382..b5a1c4dfb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 70f79615a..9b0c51434 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 0a178f77c..d7b2efd64 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index cfc01a8d5..8f7b14f8f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 4df5285a5..03a50377b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index eed6e1c86..c553bee95 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 1fcfbb864..f257d7435 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 1f0c26a47..536284111 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 6fbad2824..a70dabd95 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 1c2b1fa87..7cb88c282 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 91cee1926..00a326f65 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index 76dfcb615..103a9e2e5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 840b16c48..b749d1191 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 62a6e9843..b3122d6ba 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index a7c2961a3..4b481d80b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index e71f49c2b..9aac1cf56 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 822ed94bf..91aeb3213 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 1c15f6a61..510647d7f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index da3c9698c..74104be3c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 0f4e43145..6ad593033 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index eff6e8f14..c4b60d6eb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index ea5a051da..49d8fb871 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 226b6a0ff..c071afdba 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 43c371dea..40d655f90 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 7f792be40..4cc66fe08 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index db4a30271..71f42626c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 55cb43795..c20bcbce6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index c14268bce..fa4e190aa 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index cd457306a..20140c496 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 2f6929520..51cf192e6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 28270510a..15bd5580e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index abf0af965..11ac27b57 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index c2225322b..7fe178c95 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 68e95f89c..2477a085b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index a45a88370..39abe4be2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index f7e57e6f0..24d12d56d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 516f6484d..efe74cc02 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 6ae509986..0c3e9ad80 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index adb09e044..e2518e2b2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 7258c19ef..4cf92ea17 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index b4ecabe03..4f40d328a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 7d2151851..081ee4d1c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 898594570..59c34cb9c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index a576bd9b4..4daff377c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 9393a5d1c..19d723838 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 4ea8e9ff8..fcd11f714 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 22fda015d..c94d59d5d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index 699a5e127..1abeae968 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 2d8523708..f0a8b38b1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 01e8ada6e..0e9ab3aa9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 2ceab3162..aad258155 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 7af43d8bd..88da41116 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 3cdb4c19e..2b0c35d45 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index a49c1cde8..c21301684 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 2cba726df..9c1dc7b14 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 2ee84eaea..ddc751e44 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d061c3c8d..74b5bb517 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 5cb411079..09e6c2091 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index ef9877d31..7e924f116 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index 299e1e421..690f0d633 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 952a352ca..632a38aa2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 45fd2737d..33180ba53 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 45a6f6048..10b506f44 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 77fe7952b..be65cc05a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 8611d601d..310cdef38 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 4f9853aaa..5c0ff6289 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 4063f1edc..d42d8b99f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 797171b38..1c5608d76 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index cc1e0058e..668276397 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 55ba2a3a1..b9539070d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index d20cb0c72..49c05f211 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index ff5c83e6d..65b24b4ad 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index d4d553b42..be2ad695f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 2260be12b..ab0410f5f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index fd4bb1de9..1e8d545b8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index e005b6b40..5a9827712 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 58bb32169..e18b18c5b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 7ce3c3891..f981889b3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 8858e4899..5844590c1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 2060f4557..47b96c47e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 244ced5e9..bc606a284 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 2ac37b761..8d667c96f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 3842e8789..e419d79d3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 2b2f519fb..955c0a37b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index efae45ad6..cef3851a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 193e2f49c..d6aa05ef7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 14aa51946..d55ade1ac 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 4fb0b6447..f89cfde39 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 8739a7748..96350d561 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 81dac22e1..a757ba762 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 29d7dee2c..76527bb50 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 503ce9811..36798af0a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 0670d4c49..66f0d80e0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 84ade0e3e..c47889e27 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index cb5a82f7f..3b1731ba6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index fcc630222..22c6cd2f2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index ea0b6c9cc..65c061a71 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index fe875d6f1..64ec56aaa 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 4e78c0056..02846b481 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index bd63fd363..7800263a4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 5ef783f46..69ff22ce2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index bdac548fe..8aee155e4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 7ce85cbae..5a8da4789 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index dd8ed1786..07e95c58b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 7a07dacd6..16e5fe9d0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 63961f535..fe8b14b03 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index ebcc14942..55134e099 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index 5e7672fc7..e1c628079 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 0a36d3957..6f3dd2e74 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 0e376faed..05d9480d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 58f7ea95f..ae2f82be2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index f01c28340..e199c72fc 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 3ae69516d..d23836aca 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 9f69ddb2f..d9d912a0d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index d9a97d07a..de4f98d80 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 45b564c5b..07ebb3763 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 769d76d9a..49a9c4426 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 942be593d..305b14292 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index b15cc70ea..918139c25 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 2e2cedf88..d4554045a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index af5d3707a..5c3e6bfeb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index cb125a388..f4e5a5b9d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index b0a8206eb..c9d2de424 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index e036b19b4..46cfcebcf 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 15c2ddc14..5831ee503 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 2e13fbf42..9199c0c10 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 0c8c71f9b..db0d8a248 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index a397934ac..daf8fc2c8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 72af4f42e..a8af3f343 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 5331a9b47..76501f607 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index c5ca890f2..d1c4ad55a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index 956c22997..0c55f76b6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 27dda7fd9..dd5c67cec 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 86b5dafb5..1d86c49ad 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 13d273c59..19e0763aa 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 3fbd498de..1072b8240 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 1f408465a..c9ae9da24 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 3c62035de..e29222b74 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 2824f458c..5848734a7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 32c2b2719..861cc7495 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 84375c7f5..ea5c5a11a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 2be147be9..6fd816b7f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 59a8ac088..2413b86d2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 4ad2b33bd..b3e5fa659 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 984102fd8..fa0539a3a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 487a09d86..05e7ed95f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index caadaa615..3fd871b7e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 3048e2656..7437c9d33 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 6463ec653..66fd9449e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 9ae59a9df..c6de72210 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 9695fd04b..cfb450478 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index e09678f11..68ddda115 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index fe99b3183..ce73c76a8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 195ffa10d..94c3e74a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 2d017a26f..f451c974b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index fdf84fd31..1b9743888 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index d01be032b..658a22bf4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index fe97bcd2b..17c0ab4f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index c3f0e9150..535bda3b2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index d7bdfebd9..06c8d198c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 4874baa58..fd28ed967 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 3a4403714..4dfde4809 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 7a7ee041d..181da8c5f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index a1602d6c2..ca684307b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 1aa29cf28..f2b5568e2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index bba83df76..6618f80fd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 94d27dd42..c523db918 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index aba08bde8..aafe7b9a2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 5e09fdb5f..1dd19a8af 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index ef07b8b73..41125d6ef 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index e1550c7fd..91b6a465e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index dd498511f..3f3b599a6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index babc46d84..c571b6b76 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 0e486ffca..5840b4e62 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 88b1326fb..f4a0d9bc2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 745208437..3b5ba15a1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d3b533b88..a04fe8c63 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index bdb1e66d6..afd092eb4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 7902c9ca9..3857a5a6b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index a84e8de49..835f1225e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 972faca03..4e5f3f398 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index b6211b3d8..5c5a8a1fe 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 89291ce4b..3fd4b6625 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index c3cc762a7..ff648bd0b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 396411532..0a80dcda8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 8b3cb7565..72c997159 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 26aed4584..a45035794 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index ac0a9fc5e..052d8472a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index e559f4a8e..90e78f208 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index ffed175f0..4c7a9df2d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 07b3d787f..fb7b9d65b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index 37f10bb4f..1899ce797 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 76f00e90e..c9305277f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 5973540a4..4cc2d4e77 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index c72c65f4f..c0e730b28 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 5cc7ecda9..796a587b3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index fd62a167f..53b5bbad0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 0ac04032f..64c203abe 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index a76ebbc18..2e52c9125 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index abff60850..907e7488f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 83796d734..4eae566f6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 4c9586115..5c1ab88a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index e446b67e9..925dbe4f5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 6b8a29173..706eaac20 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 5253f0898..01fe18784 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 03ecc562f..6695285f7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 1ac8cf145..790c57e66 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 69b3ca9f7..cc26f8f57 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 7cde437cd..7ae93bac4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 93d6f3b5a..b1a6cc6c1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index d0b77e7c0..0d3e2f4c3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 372fd7163..48bbd0b71 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 20d109064..b3fa8fdd0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index d2f1b57da..90ec00b25 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index e0076b375..f8268c043 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index 0681d9ef5..b9a9f7244 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index da1054e8f..898493025 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 8388328a2..b5a197f94 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 8da30cf1a..79ddab857 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index bd4af0ef6..db53ca039 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 2d8c2a29e..0986ca55d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index c15603137..338d67122 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index a63eaa462..e6278df92 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index fd7faef12..61544d9d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index ef8a7899f..70083a22c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 5c8b75aaa..bd3dbc41e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 715c3d83a..885ccff00 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index baa77047c..7a85c2de3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 818a31ec4..628c2b0d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index c97d2b7a3..ec060d5e2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 1dee8d45b..a96155d9a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 70ae2dc74..46d509896 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 3f218982b..d173b16ee 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 99ee9d05e..d125f2d19 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 30b0aebd0..078d26a9b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 8ccb2986d..ada1101cb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 5bb95de88..c0c4f206b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 2c8057f14..83318f613 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index f0a49133e..db366ee79 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 4e5d7ffdc..6c2546a01 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_mean1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 36819a707..9641f90ac 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 7db7d5660..f50828387 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 5c6f44ff4..95a6a2dc2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index d9d91718f..687bef670 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index f2387f462..fc4e416e4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index f77d91a72..dea2e554f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index df91310ef..4a65bc9f4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index f65a2a745..a905ed06b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 60d1e91bd..a86f4d01a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 406669f97..18a649d61 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 85e34e962..24cb6c25d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index fe1d44d7d..54475ac64 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 90487fff0..eb817b8a1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index ffe9b376c..2e96756be 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 651476985..5f93ceab1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index e98acdb0a..eab1c23f9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index b548be517..5ebdfc9ad 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index cf23fdaa7..3eb53ddd7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index fdc876d85..cd810fbfc 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index bbda3468d..51cc6dc62 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index ed86eb5c1..b2c289709 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index f3f01d6f1..43ad279b7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index c1d46987e..b24c83475 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index ebcbe2a1e..d74ed04ce 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index 39a257a71..b3e912e22 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 9ba81a0ec..e2acbcbad 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 65da62421..b11881efb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index fbec3d84a..78e29fd35 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index d919922a8..e946f405e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index e9e351acf..42ca7f418 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index 9d5dcc432..ed930f98d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index ee09bb57c..a256a591a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index a384fa385..37db0919b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index eafb09a88..b2ae66776 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a4390f4f0..36941ff1a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index 8ce0fd71f..887049169 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index 8dc7957fc..712241baf 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 2027b2f68..5c4899678 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index a85d369dd..c4b02d400 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 2331e89d4..12937ffa3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 90de3dcac..61e50c4d2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 6a5354d95..a4a967e3e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 793e97f7b..53b42f741 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 7c949e07f..b2aea6b65 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 02c377986..95a1881e9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 9cd4daa72..25257cb31 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 43374dbc1..2da10f744 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 004076afb..0c8eb1b8b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 4a7e3e50d..dbf885faa 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index f3c34b51d..4cf844a35 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index e604442ec..c70eb8f5e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index f5b2cf312..5f7bfce53 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 683b2efcf..6d3ab2988 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index 40605e111..edc24cd20 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 754034974..d2b16d365 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index efee01221..4f899a78f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index fe6c0e066..d138e7e82 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index a1e97bfdd..d70e8bb76 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index c5b19785f..69325aa43 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 6fb25ef1c..c545e791a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index b43b11d1d..108a5bed0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index dbda308f8..41b533a74 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index abd2db0f2..bb8d1f002 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index bf23e10c2..83c8ebedf 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 0546306ff..96dc6d3c3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index ff7568bb9..a3138a5b6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 01715d3b5..f7d1a127b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index 350aba4f4..e3c1f4072 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index f7729835d..887d25b36 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 76ed71e80..ae21c1a67 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 6da6633e5..d1b0d8de0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index 7d32297f9..6b0a5dfa0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 2c055eb5b..5a6068485 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index b3a9000c2..b6bf8d823 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index d595f3947..77cca81ca 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index b0843cd2a..b000ba956 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index c2a763dc5..d51126d4e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 41d7a21a0..e7b37c43f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index c29ab46da..f3c2c13cd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index d3be07feb..39d3af639 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index d0ab6398d..964dc5331 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 9380bf669..163948c39 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 8ebc288ad..61a19b7d8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 72e8ea956..c121eb3d1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 85549246a..a9b28bab1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 1d50d8a8b..03d3ed5cd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 035f734ae..8f19e9041 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index e691aabaa..65ca9071c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 3c35f77ec..6575baa41 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index f76ff8d59..254c81aa8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 45f748cad..7d55d3b24 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index 0e165fecf..9fa323ac9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 5c837ecb0..525f371d4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index 3099fda96..6ae5c0e1e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index c08ba11e6..7bb1b1a0b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 2ae56ca4b..c679b28c8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index f21f00c2b..15dc62068 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 0668ce063..3a09ddd77 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index fab01f9cd..3e6e1296f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index f5ac97c36..7e709d3a8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index a44c04453..33ab9233b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 05f6742db..062dc704a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 3da8b51c8..b7cb59477 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index 8103963af..9f50d350f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 2e4f7db9b..6562834c3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index 4dea074e4..ad5656651 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index fc0e0820d..b4d9c8892 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 52c8655f6..bfe306479 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 95c8570e9..dc94af73d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index 9a1e381d5..a46b73d88 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b4f9604a8..25545975e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index 620faf1e6..057c7650f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index e8339dd23..3cfa9dcb7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index f5f1c2d2d..71302cee2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 0182ea95f..6ed8f714e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 096e50ff3..da78a52be 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 67e56057b..acc36629c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 34471d55b..0dd13f500 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index bd9543194..7928dd797 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index daf924659..b701741b3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 0ee368092..7eb085538 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 1b9cf0fed..8f15281df 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 12a91eb2d..fa6fedc9c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 96c6aa00e..03b6b5ddd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 4684e1ece..23a2e4617 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index e61d42d82..42c3dfd6c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 2538f449e..0d263b1bf 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index 7d9659d9d..39485100f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 62ed5b0b7..33f84472c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index 91d7ae34f..42e0f936a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 5f53894d7..9945f2061 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index 335b627f1..c6650dc2c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index 07b53d839..fb6190ee7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 1e031010d..6863db15d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 404a0a640..7a234d2e4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 51a2ebce6..0dfaa24c7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index f1c5cc537..526f427a7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index 58ec049d7..07c376cff 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index 3a2708b59..ac0a16c7a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 5801b26c3..48624fba1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index c2e1dfc6f..ec284402c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index 8deb879fd..470eb495a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 51f4d546b..953c7a2fc 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index 3ed3188a8..c21832e43 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index bcf0e0e51..a5d37d33e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 0528e72e6..7c7ca0e55 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 3945205d0..c4c8fde3c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index ebe83e49f..114c69f52 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 20167c630..d225eec3f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index ac23ff348..bfdcd0770 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index 3cbc879c3..5bb064980 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index b5cbc2140..c9bab4dd9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index d6b5c68b5..ddde86e74 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index fb74454f6..643aad24b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index e26558928..e2556a931 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 1e91e80f0..25d378bac 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 89534bd81..d370a6850 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index d68457d85..c941901fb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index a0cd5fd79..75d3b0c9a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 4ae115b66..8759f7db2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index df2a94bfe..1128943ec 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index c61e5464e..62ef80575 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 288429eee..22fc0a0bb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index 2082c4e97..17c0a3cf1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index c0b002801..3358b6d26 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index f7ab85413..8a209975f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index c7013adc4..491266ef0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index 4a2a8d417..504ccbad5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index f54cf3a2c..57185f1a0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index 85300072d..f392932ac 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index fbfe56e78..6a934ce27 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 1cd8a9bf7..00a358a97 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 5a4663091..0635b9a45 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index ceddedbcc..dde0a73e7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index 4ab197e23..a83528dbb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index f32e5210e..6874af59a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index d77ab58c8..a2a1c6955 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 7b2912201..190266b26 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 620b68fb3..45f27b5b8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index acf432a96..59502a639 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index f707c78fc..030339fc1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index 07fc9bc1f..80a3614f9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index dc08e0541..c252b49b7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b02d1b9fe..3b65f9e81 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 4e6e2d1d2..50f1fa48f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index e63ae6d2d..8ddebdf50 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 70f356487..a7a74f8e1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index ece2c234a..4ebd28e23 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index d680c58db..b8f53595f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index ab8288629..861a844a8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index ca33f5b97..90f625086 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index c0ce452e4..1adc01ae9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 7a35fc232..03bc38cab 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index d9e843b46..ff85b5f15 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index a8bbe9725..f88162e55 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index e5dda73aa..f1a368247 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 06c67c3a2..d7d689796 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 21069a0f0..53ea2e611 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 674cd4279..960378229 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index c5fcdd0cf..5c41ee928 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 5a72513a2..2a9faec93 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index bd92dbe6d..2da9ebcff 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index a70b26478..12a0af720 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 5c278494a..fee67f123 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 39ab8b437..5e6c911e7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index ba5ada43d..dc7fef946 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 4f315df7d..08ff12ed9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 9e36c32bd..ebaff1d79 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index c0a3b983c..ac7fbd1fe 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index be1504d49..c07e3a9d6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 8fd9147ee..efb3adfa6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 65b7e5316..f1b0bc849 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 7cd53d2fe..c4f961d24 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 9784d57c4..36530ded2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 21170948c..083414297 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 12c6b3802..1e8edb966 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 35d1d102d..439edf3fd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 043ffaf9f..17d662d80 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index ec3cab455..f0cef5643 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 27081131a..d12161f5d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index b461dbed5..64f13cb48 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index b77d981d1..7a311ffa6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 0f7cd42d9..9ab150b9a 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 34f59b287..df8d7e640 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 60ba212a4..827d5eb34 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index 1695aa514..5c2d6e354 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 38a6ad19f..14f5307d3 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 43676bb80..fdb8c7100 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index e773f6340..c8b7d9d38 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 605bfb8eb..a5637aa93 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 9d58f62a3..51e5485b1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 55a674c9b..d4088c766 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index cff7c9a3f..91ef15567 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index b73151159..fdcde374b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 3d089bba3..333ed98d4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 55766efc7..33c184dc9 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 6568fbceb..4318500bb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index 89cb68a88..1d2e6e286 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 15d0e4f41..b4c7096ce 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 0250dc232..09ccf3a37 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 1d6d0fa50..36c569c76 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 442589b21..e0435f75f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 28eeda622..60561aa76 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index d28227bfb..ec3860be1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 651cc2b60..d320e7c56 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 5ef6e735b..63fc6d191 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index fb3e4aa81..fec79edc5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index cba81ebf3..685870d50 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 4ead04dac..c219cc4de 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index a86fa6b3e..f642184cd 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 6163a6710..c2f6f10fe 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 0b52a058c..ca5d5c0d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index c7b588016..439e5081c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index c190bbd59..80d61846b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 1c57fce71..6c2642280 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 0bfffa4a1..4310d293c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 62c525823..4fd4a2078 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 47b89c71c..82c4be848 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index bda6d144a..3cba22312 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 59496b4d0..9d84a03bc 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index b35f59934..e28e5ab03 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index d47771545..86d5cd675 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index bc08487f1..7a3d25445 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 387634608..8ae68bb05 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index a00fb0c2d..29f205199 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index c6c78b674..d7307e677 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 742a7a8af..f17c677dc 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 35de020df..27c6fc7f2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index ed4b6df54..2bbab4c77 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 9e5569881..26b45d068 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d4c602072..b2d23b382 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 22b6a3d33..6a1928303 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index d30eca20f..707395d2d 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 1fa9fb0cb..fdaf5a0f4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 3130e7dee..40573807b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 0890a9e6b..edb52b33f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index c2ca3501f..e0614a31c 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 754b8c378..3ba44260f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 6531918e9..adb245e94 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 6305a106a..38791f6d0 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 9ac758637..efe5fd7e8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 563bc79e1..4d765e5c6 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a980c0adf..4da8c84ec 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 6ea68d724..2a9235933 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index e918fd346..8b45837cf 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index 8ef012d3a..d737d3952 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index bbe5b3ac3..1df7cd4b7 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 9741262ea..f138577d8 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 797107147..251e0d420 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index c1d21d863..b5092b64f 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index b32f6dc03..e37db64cb 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index c78ecbb79..81e9ea706 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 5b44b8d9d..d29007c39 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 24d29d8ce..a205e5ee2 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 8a8c4b18f..44fc8d3c1 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 66d952bb2..bdaee005b 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index f59942755..20bed49c4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index 51c4ff931..ae280924e 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index a4c3fe85b..7971b9dc4 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index dda3bd285..dd33c6719 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 915df230a..ee5e0cd58 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index aa9fa8211..7ae047323 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index f13a0e9aa..6af3b4054 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 27b7c4ea9..f4b6afb61 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index e032d1042..3640296ef 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 1236f47bd..fe9633a30 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a647ee2a8..137c3f246 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 331b6c262..e10b710de 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 8ce15b561..987ce8e61 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 329e9f010..6b7dbc638 100644
Binary files a/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_False_ridg1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index dcbe9d115..006ea4de5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 0964c09fd..310c98c18 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 23abb3ba7..079c6d070 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 66f12c03a..773ac61ec 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 4b70bb9b3..8fc25ce0f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index da48e1d4a..6de805454 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 308548a95..4e0a1064d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index cfd8b8791..d23618d07 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index c9e4bdc3a..8f61d4649 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 93ba83334..4531e27e8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index f6b175185..66a5e7a80 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index 8cb88d0d6..7cc1a4526 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 3d7ff79a1..2212afdca 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 11dee3080..97d4a7ebb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 802f6bfbc..7736ee0f7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 3f3daa6e0..68b8a181a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 81692d66b..0ed65358a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index f919f3602..76f5b5c29 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 8effb5d5f..e7a710b4d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index bd3bbca80..fdec84750 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 393305f32..b536baa26 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 7982fa3a1..0fc183d6a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 7dc96b121..e6b1de3dc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index afaaf82bb..0b8ec105c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 124af8c5c..90941a7b4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 8c7cbf210..698b9ef78 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 85fac0b7b..8be9500cd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index d9123f70d..f088c5c2f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 3e56ba6d9..54906cfc6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 75f86fb93..cfd5a2a11 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index e5eeb60d6..dfa2fa0a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 28374ca24..08a910a82 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index ece4ace7d..5d4d8df59 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 28453cbe2..1bc48f100 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 5d4863c4a..c7534d185 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index 6aa4aba8c..cbb79ff8a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 9b7700784..04f0ce3bb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index cd1fa10f9..915ac091f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 26677f909..331ee8a6a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 038efb2de..c57f26da2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 55166bf65..05f84ff28 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 838c11d8f..b9e3c959b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 6905b1f17..80321130d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 9ddb1edfb..e762bda8f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 523f09b7d..1a5f0723a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 61efec858..c5f618df9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 6e32288b9..2432590c9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index 7e8a7d1a3..4b5d14d48 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 7d6950716..2af3363d1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index cd184755f..eb5182197 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 0f31643f8..253199f86 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 6e435a8d5..6f3bc3ae0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 9e36690df..47f31ecc9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index ed23336cf..6b64fb7d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index aa4144728..f2fa2a447 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index c687ef34b..a6191a84f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d89732a29..0278611dd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 90c13e500..c8ce98d3a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index cb0630505..58742ec0d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index deaeaa7c6..237cdb25b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index e282717e5..34ff6053d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 84a7b882d..95ad403ca 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 5db11ae72..5424b5563 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index c38c8001e..5053ac3a7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 886da2fbf..73bf7726c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index e918a3b08..b0c5f1175 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index b76fbc0fb..1205041f4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 923b64b5d..9296e1ad1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index eccb8daf9..63b16eebd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index b76a0469d..ae082fa0d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 2e8a8f151..d35a4bf94 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index 58c5f4cc7..fef9e053e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 9ca43f292..46a2dfbea 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index c1d38d943..11e6a09b0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 98a6b280d..aed0814cc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index c6de4ae42..8acd59e2c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 6826f25e9..334cc0bb4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 945a2faf1..77f93ad98 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 98c03e117..5ae2cacce 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 3a9fd3ae1..0a0286ecb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 99cf24807..c1381a6bb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index bb5d535b9..418bf41cb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 77e144dcc..672a5b086 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 8472e3c94..36def09a5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index bd28252d7..f14760a66 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 2c640346e..f54a2d241 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 8422a913a..a14c1407e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index fa140cf98..5fdd4882f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index b09909c5a..5c6f62fa3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 063a11899..00dc59d63 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 09e8f3f3b..871f83785 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index d7c0ff1a7..3712f2247 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 4f233b9ae..8604d0fc4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 6982bf435..75546c1ba 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index d18bf766b..ef50545ff 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index 49b93e580..54673439c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 7a6695bb1..2cb6c6170 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index b3eed300f..789bdee30 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 241723494..88f69f664 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 2726dc269..389feec98 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 8004d5836..043c62dac 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index c6eac79b0..e57f0543d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 0f454e278..c1e77489e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 700f35e44..505380d44 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d319cc98a..a5f05a8b5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 0b5feeca1..2d212c750 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index c8a9dcff3..9774d5973 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index 07f023a95..ce1cb1e69 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 28f9b0c9d..48c904e57 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 3a7a906af..ca997bb6f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 233816ace..ac8b7c085 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 5a72b8795..9d059fa14 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index fc73c5d96..1f5050062 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 7eafd3656..7fc702ea6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index c823f04dc..2e64f6b75 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 6a3c5da1f..06cb158cb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b34dcf3b8..483e2809c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index e4fca2855..73a92bc44 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index e3a58c57c..6deeb22c9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 9beb0758a..3cb50ef4a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index c4942d59b..188a9735f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 775a30257..3e3ab285d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 85f4afab5..31ba02d60 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 23f57a49a..c0348cc36 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index a13667564..fc5f8e15c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 39175848a..4cba08777 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 518a475f3..689404f33 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 5a7f2eb8e..4a5c4668b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 795f3eb64..e52b32ce3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 634e675b2..2c98831dc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 7d169ed70..f2b7dc449 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index e2b284286..b1d825c15 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 6b096c354..341ce7f74 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 060f51ec6..0eb2c4cf2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 06ed25f9d..3f81c5ab5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index c96aee859..bd03ed291 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index a2afd2781..5d2a1f6e5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 27d5c197a..a9adfd50b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 5b48d9183..353ae1968 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index ff8dd7ef4..63bffe8d0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 7d28757ce..829071b12 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index f0246a78e..f47c13fb9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 59607cd92..a41b6ba25 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 801dd7f7f..ea2dc39de 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 4b0ee20c1..ca506ebe0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index fd2531144..454bfdac3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 5769aabcd..d4431ed70 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 7c9dd324b..8b7053bb4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 4af24d4a7..75b3e2b73 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index ee0a85d6f..cc4e77527 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index b1edf4fc8..a02326cf8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 91c746887..61c226ca7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 4815c17b7..a4071f6be 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 2aa651678..e9321b74f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 9837fdb75..3e50ac9b3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index 53b7d44ec..2b95ae95e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index b37444e21..32147958c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 8d4963f14..caa334551 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index e2d2ad924..bf8bf80d3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index e9d117009..a5494e5f4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index ad1bd2515..34628160e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index d14fa15d4..1bdc201ea 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 641bc3095..589885db5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 1b302e1bc..e2356f680 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 75c91395a..3140edba6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 963ff49e7..bee9b8ba5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 5eb7a13a9..fcb7f3998 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index b19546d1d..977465c10 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 28eea7f22..ed6ff45d9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 05ccf4688..75d47c2be 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 566e71e66..d2ef470a8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 601612c7a..b39c74516 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 4fa3a7321..98a536d5b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index dc2860423..ca76ee10b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 21d9893e2..ec02f0b77 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 33b5e1176..d40312aef 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 9cb3b2b89..3c9b5c7f0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index c5d54ab1d..b248cf751 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index f61901668..d11510124 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index 8bcb90adf..0c3d6c6d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 075170a84..cc7d7ad01 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 64e3ea68c..c8f712076 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index d008ddfa5..957d6419f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 6c5e12c5e..b9adc83d1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index b0e2081db..9e83b00ea 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index d9e52070e..fe52797d2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 851a64708..64ec28459 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 342b30b23..647aa8342 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 83b30ca65..ad98edc08 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 731352147..526f01573 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 6f41f651f..d2d1d0a4a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index 014a69bbd..eb7e3c08d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 6387836fb..a326e092e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index f5f7228b3..8253ce14d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 91abe7c4c..537f451c8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 5ba22e5e3..63ba962ff 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 80a8dcffb..ea5330b94 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 4832a85aa..8b1206bc1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index d574f6fce..7b56042f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 12cb06edb..79de5f0a1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index d5d2a7130..1a297ebc5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 28a12d452..94d0002d7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 16045d7bb..217227ec2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 48d20bfa1..08f53bfee 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 61b8bb7a9..abf60efa9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 40e8df7cd..daf6cf762 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 1d6ea1643..14c57f0ba 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 5d903138d..2fb37e563 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index a9cefc98c..84741b727 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index dfeb7adfd..df8c2d075 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index fbb73d18f..47db4ff02 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index f9348b084..981889a2b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index f6a984b10..3cf204c65 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 73188e87f..7c869937a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 9b7b6b339..6932633af 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index b823c586a..1e6de32ee 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 0a486db32..dc1efd0d0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 728eb4c32..b2a19cc13 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 2611e790d..0162d0284 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index e55da0216..9c554d35d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 880755415..2056342f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 20bf56262..1e0bd98c5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 290da4aa9..8e48e1b2a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 81fbcbdea..1d39b5f07 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 66330b813..c7dc8bcd4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 3bb289ee2..03348a772 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 539d98685..82e8545f2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index 3392c56a7..fb4203c48 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 4db95022c..0ff4c36bf 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 943d511c1..eeff6d088 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index e99039fc8..099cf8047 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 994a9a119..fc46307d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index a50e2454d..836aea3d0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index f5ba6de2a..6ee020eda 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 390595b9e..29b70efbc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 779f7b2ca..a254a8498 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 0ae06d5a8..df6793847 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 8e5298891..cbea8b949 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 5f014d82d..03be98887 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 2a5db9a75..5662bd9c3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_mean_1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 58a1811a2..3107bf488 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 6caf6e5d5..ec83793a6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 3c6cda1c9..edb49a63c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index b9a2252b1..ca3197bb7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index ba3abc07c..6fac80c1e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 9989fc52e..349e5c819 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 065f027ca..f5b6c9814 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index c3bc94b5c..3b6e3404e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index c6734f9f8..9b28b4daf 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 884d87d2e..d49df3546 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index ab5a74b58..36d7162f5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index 04f8360fc..36e45d916 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 24790ccdd..414e18734 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index a4e18e323..f73fa01f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 9da1683c5..9abf96d38 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index b6b538bf5..b96196a9c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 4d5e6aca7..003979e42 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index f2d6c95ac..aad0b8277 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index 3000c4642..526590023 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 12bdb8796..d3867c759 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index d4715014f..801b1e23a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 4573107a6..05c01ad47 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index 7c5aa98f9..ff1304189 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index 39fedb3cd..84e6c706a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index cce19eb1e..a771a2f62 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 0fff56cab..2c43689d4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 5ef9d12aa..cc95b33c6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index 5b3343a1a..317975e75 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 12c304bc5..9289603f9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index bc585fd12..91b9632cc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index d585e7c2f..dd6994e93 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index cade738a7..1197b2116 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 62a01feb3..d102aa16e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index bd3508726..f02514463 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index c14498323..66a2202b4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index c3e5e5291..34f51e2a6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index 4534ea710..684f39761 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index d918f6b7d..ba682f134 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 87d8e9dd2..2bfd4fee1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index daed67e29..4cbe3a027 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 07b88b50f..5070102be 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 81eefb04e..57127d743 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index d5251187b..036e38d20 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index ae1a16fc3..2ff711aa1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index f051de8c9..fc6d73af7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index a1ac6f9b7..dca440607 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 842798418..09251491a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index ebd9754b9..58a5fbf9e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 2fdf30353..f1d690d19 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index d60602812..c003db84a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 526771c09..d14e00410 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index 0150259ba..6abb8cf3a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index e007e3d15..744f5b18f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index b0ad9c583..2b953b2ec 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 3019f16f2..95a783887 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index e541dd3dd..74f4df88b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index b6de3db07..9a442762c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 521351e5c..a56be785b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 982711cdd..8efb0b5f0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index f0fb87c65..8ca85496d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index a3d1eb80b..32c5f4fa8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index 16f2f2c4f..b61ef10af 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index b403da1c0..cd5f7289f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index df2d56e4a..4b67100d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index bb4d1b10c..f76708635 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index 2d44f907b..8a751dd55 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 62f3eecb9..92f52e2f4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index e48bf51ce..846bd2b9f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index 27ecfaafe..4b5c06766 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 17c710d29..da86f052d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 76137f69c..afafa08bd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index 366033810..e81d62d98 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a7594be3f..333066a55 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index 08893523f..8567b7611 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index 172a90ce2..906de50e7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index 7353cb437..7d58db2d9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index b3dd261e5..b831425c2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index ae10b442c..0954ba68d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 0585570da..c0f75ee7f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 19d8cf5ca..9d7ddd9b1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 03d02e8fb..a27295ecc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index d6a1bf251..7ae922f34 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 17dc17875..517e327e0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 18164b2a6..5683e62c7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 36e8212d5..7079267cc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 935daebe5..92dbfee60 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index f5307b981..09437065b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index 99b412b65..ab2ff9a4e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index b938a0f46..8e69d1f2e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index 2b1758109..2a0426f2f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 49b3d9bb2..5192ff2b7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index b4155182c..a8e4f9bb5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 60a15ff46..eb652eace 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index 75e7586ce..99e5eaa1a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index ee2d7f6b9..d3500bf77 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 5dbc9e51e..5613003a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 6cbc4c393..d65b22be2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index fd6438287..64a469177 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index ebf90dd2b..0eac8a9fe 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index ae6f08a5e..52fad8582 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index 23d390bbf..2ce9028c9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index e876c2e7c..7926d6f80 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 8baf6808e..85d4eb524 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index 9447d6125..032747da5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index c08c9555a..fcc4048da 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index c376f6e55..79b040c70 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index f7728387e..fdb7a378c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 2b3bc0893..cf57bec0f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 0941e1069..8176595c4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index c56976580..0c466e9c6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 3974c8a10..8edac6e12 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index 57b8df744..924bf172a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index bb33a8888..414bf1dae 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index f02517c28..086745ffd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index ea9222475..0a2b4edb9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 648b4f198..bb5f53166 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 9ac35e5a3..601cf342b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 49b5a3d19..5905f692c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 74174bb03..1c8de5241 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index f923c0910..7a338936e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 8987619c6..11b6291b3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 559a860fc..80d9253c4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index ba982601c..9e63bfc78 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 2d1a6526b..4032e62a9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index a3e2485e4..99d04ac9c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 6a8d46cd6..76c08c2f5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 0a74aee44..474f1e3b2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index 2332e5a24..50c82a8a5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index 467f0cbca..232d067a3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index d5876801e..83b76a5ac 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index f5f8a47ad..cc2801767 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index efa233370..d623a94ff 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index 7ff35e2e7..e93e4383c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index f99103a7c..02e57b1b4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 524127c7e..1d1268fe9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 28fed293c..6968aba33 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index 7e1e75015..347e6cf95 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index 69608d3a5..76c118e8d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index 13dc827a2..7c464eade 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 0039c0620..608e2dbe0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index 1236756a8..a7cc43fa7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index b157dbf6a..bca8f9bab 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index 46ebe7340..c99b548b9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index ac8acbedf..e5e80092b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index c568dc3e4..f23faeace 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 60f382305..b8b32db2f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 26b566803..9bf02fadb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index 1624fb7fb..15ed41635 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b90c87d3c..be1f820d9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index 4cd55399c..e910bbc08 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index 075d86b8e..fa13add9f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index b217c7fe5..c02bd3202 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index f74a66206..6efb87626 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index ef2e8e724..30915432f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 376cdee7c..aa499493b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 559a9e06c..a317262e6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 97888ce78..8a8021414 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index bd8863d59..cb0c32346 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index f45705b9c..e621c1935 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 1d02d8ae0..988ff6c76 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 5b0643856..7939c4e0c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 8820bf44e..b12770374 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 6281ba2e2..06ef6def4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index b2594d89d..483ecb0b5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 479815f85..c3e2d9f41 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
index 0ee8df1d4..073267576 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
index cf1201c4d..2bc1414f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
index 5dbcd004f..d90eb2e12 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
index 515b3ed47..9640d8fff 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
index 9a2db6849..5278e2c5e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
index 56cdd34c1..d2af14280 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
index 9c16ea72e..815a51cbc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
index 63ba0a261..6faea4e9d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
index 33edceb67..a622f65dd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
index 42350dcc8..c211bca0f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
index 648077cc8..563eb823e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
index ddc1a7328..44fab3def 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
index 59849f24a..9abd0cae4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
index a35131b90..cd6a1545d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
index f45ec3a51..cb2e300ac 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
index d97f1b2dc..483a696bd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
index d49b2a01d..4b06d7286 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
index 4ee8dbd4c..7b6b39151 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a48311b2f..0e01f9a22 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
index 79823f96f..f859f36cb 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
index 5e912527a..81a1e506b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index bacb2af0d..3f3ec4d01 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
index a4cb6d7df..387d0c040 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
index b1065f193..04db43026 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 6bbeed9e1..e24b52da7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge0/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index fd1ab8223..98ae6f2d1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 2caaab6ec..b11c1c222 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 61095f0f8..bf2bdece3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index bed36de12..0989fd571 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 5690283c6..d408faa7c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 27821dde2..69b126086 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 4b30ce101..2bd62dc96 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index b1fecd277..49de74812 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 544c7af62..082785dce 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 4d783f60a..c62554eaa 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index ec68bf618..e48b5fc6f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
index c463a3e9a..24de8c4c9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 2a8ccefdb..078b80d06 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index cdd0054c8..86a7e2f4b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 87a447190..fc16b4bd3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index d806a2f9f..bc54bb8e3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 3407c42a9..5a25826b0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index c753f81b1..a76568e42 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index b0a284ad4..51239ab7c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 5a88b7589..6029a3dd5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index f8c136f51..33f506af2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index bab6e520e..7dcc54a6d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index a657f9448..ff95a4cc7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
index 6a63dc10f..95032208e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 119944ddf..bcec92eb8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 35e2d49de..a39657135 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index dde2e3dff..aeac78b30 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index bde654916..2d284b99b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 072f6e4b6..b0df569d8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 69e823be8..c0ecd1bf1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index fb63c5695..af62c2bda 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 7d5f5806b..67cad9cb7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 75bf9f632..dd6414983 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 77372c553..1298ad67b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index d07f069b2..399d26731 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
index baa37fd80..7da011e1d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index a183e7509..7a69d48fd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index fbc601d33..a61cf4cf8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 43b406aed..4079237f6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index b2fc82074..40805eb43 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index e1a11455f..a60fdbbaf 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 443acbd7c..d76aec867 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index a21ead60c..5baf7634d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index b36b9c9be..d2fb42c65 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index a14dc2fcf..1f2b61f7f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index be852ff05..33d05f020 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 255848a7a..6fd6497e1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
index 2f09f2d27..ebb726136 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 2bcfd21de..b3c17a036 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index f9e5f4bc4..1db8b5e12 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index d44ca738b..75a528e27 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 846cecafb..1401bccae 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 749f66782..376b1c523 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index f64caca09..240af4202 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index fa76c9234..ec3472eb9 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index e7e63e2e6..71ba08543 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index 07672ea05..3b9aac75e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 7998f55b9..145a98439 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index c99814448..74038a3d4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
index 9b7505fed..e7815cb07 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index b2f304e20..8dbe09f5c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 57eddc1fd..2bd5818a5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index d49c3d0ad..64d576670 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 6f8de4544..7a0b1967b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 7937851b3..bbd73591d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 286fc2f45..86493ff02 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index c0d4c9f32..023e1b4e1 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index 58ab35c38..f95a9f8bd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b96be3e97..21a27bf2b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 3a81547d7..d799c3a4a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index 36b238900..7075510d5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
index 60042df1d..32d4e0a2b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 6131d6970..618fea93e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 45aff52ba..935c6e87f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index d504aa644..9d9a2e9f8 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index fe679ec0d..bbbc0119f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index d8023013c..ec4e5eecf 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 0bce72370..4a741c208 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 0f6ba7d5a..43af5ec81 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index ccf98ffea..491b9aa0f 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index ca89a2d86..c626543ca 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index 4b2d26fa9..60e997b56 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 342cea1b9..45501dd11 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
index 529bdebe0..3e2f5412b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index c6779e7c3..b0e807bad 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 7bb2a5dc1..3f9e1eb9a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index 061d23987..d4fb15fd6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index cbb2c85a7..cfc6764fc 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index 0a8f0cc5b..f73328e6a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 20679ea61..b1d4603d2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index f4c570e5d..9f77d7f35 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index a2da89ced..88ee4a2f6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 4759dc3e9..ac53e9966 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index 3c6780e36..2b55cd816 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index c58e232fa..f1f71a3b5 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
index 9fb9b54a8..c3d38044c 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
index 1a29e7dc6..c2d7544ab 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
index b9da0b222..fc2138389 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 36e3d8db8..35a12b210 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 1384c89d0..0000e88b6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 19a604a71..6c3079bb7 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 18f68801b..fd399c692 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index c7ef250c8..3fee46dd2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 25a52c6e4..a25a76424 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index cf52ca686..a94639fd6 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index f29aaa3d2..a5bfccea2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
index 09a1f1c28..b3d1fb831 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
index db01cbaa9..750b85278 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index f2e2b8599..71678c8d2 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
index 1df7ef4d3..aec07e06e 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
index c12fd5da4..6247c70f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
index 18048ed35..3653e81a4 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
index a9b340b12..245949dbd 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index e867ee983..cd237363d 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl
index 773618b56..31cb46a12 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl
index c63995328..2d8b698f3 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 4ff321a74..6b8bef33a 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl
index ce396fe97..a4b697186 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl
index a595c782e..a1111b3f0 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
index 4843a0508..fadca6b3b 100644
Binary files a/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_ml_train_water_True_ridge1/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
index 0c301e7b8..cb3122ae7 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 00ca2a3ca..576d467a6 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index ae170ac55..033178571 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index c58302b7c..c3639671e 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 79d21c2fb..b946a3922 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 237a5b3f3..ca83dce18 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 902c9a1e7..76cc655c9 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index d5875b970..50fd95d25 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
index a52375474..7ef948143 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
index 653d27ad7..0a221e800 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl
index 47b85e59a..69ad0ec2f 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl
index 3fb392746..0e1c0ac34 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index b0cbab2f7..ac6689547 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index d99035d77..cb65bb145 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_block_3_to_supercell/convert_block_3_to_supercell.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_block_3_to_supercell/convert_block_3_to_supercell.pkl
index 3c101f852..9c591c39b 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_block_3_to_supercell/convert_block_3_to_supercell.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_block_3_to_supercell/convert_block_3_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
index 6f668a093..492802753 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
index f83973a5f..a63b62aca 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/02-ki_final/ki_final.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/02-ki_final/ki_final.pkl
index 5b924dcc1..66d2b7735 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/02-ki_final/ki_final.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/02-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl
index 99fb6568c..678c6eb2d 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl
index 65c40ada3..22fd78c6a 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index d49c60c87..47d160066 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index a32fb49da..4c1dd274e 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 06af718b3..3bad4548b 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 2fc8056bf..7f727d585 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index f6ac9ce7e..099298490 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 7d26ce648..7a2402e09 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
index e719050dc..d4343f359 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
index 8dfdd0758..c554255e7 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl
index 91f66cbf4..f7f50dc40 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl
index f42a19e81..1709a91a4 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/06-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl
index 498100091..d03cb08b2 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
index 40fe2cac2..e99207c5b 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
index 3e0fdcd18..eb00a5954 100644
Binary files a/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl and b/tests/benchmarks/test_singlepoint_gaas_wan2odd0/01-koopmans-dscf/03-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl
index 5205736bc..062027841 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl
index ecac84770..174d46df8 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index cd016dbbc..69e09e26e 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl
index 12d272de0..a7b90f384 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl
index c9e0a754c..a91fe3892 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index f20a62d37..54b6996ce 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl
index 6a9e22a7a..75b80e2cf 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index f449d8475..d8b7adc9e 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl
index ae685f6cf..b42c941e6 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl
index 7cbee549b..4eb39822f 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/01-ki_nspin1_dummy/ki_nspin1_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/01-ki_nspin1_dummy/ki_nspin1_dummy.pkl
index cc44db7ee..dd50faa0d 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/01-ki_nspin1_dummy/ki_nspin1_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/01-ki_nspin1_dummy/ki_nspin1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl
index fbb3cd63a..1e48224e2 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/03-ki_nspin1/ki_nspin1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/03-ki_nspin1/ki_nspin1.pkl
index 65ccaf703..91a0ae7b3 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/03-ki_nspin1/ki_nspin1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/03-ki_nspin1/ki_nspin1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/04-ki_nspin2_dummy/ki_nspin2_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/04-ki_nspin2_dummy/ki_nspin2_dummy.pkl
index ced493cb6..b7e0b6996 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/04-ki_nspin2_dummy/ki_nspin2_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/04-ki_nspin2_dummy/ki_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index a344be98a..154b07583 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/06-ki_nspin2/ki_nspin2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/06-ki_nspin2/ki_nspin2.pkl
index 22f72a234..d4435a664 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/06-ki_nspin2/ki_nspin2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/06-ki_nspin2/ki_nspin2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-pz_print/pz_print.pkl
index 43b3da62c..d03a2e5fa 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-dft_n+1/dft_n+1.pkl
index 52e5c5009..a3e08a446 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/02-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/03-ki_final/ki_final.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/03-ki_final/ki_final.pkl
index 0bbd31f16..8080eaf3e 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/01-ki/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/02-pkipz/01-pkipz_final/pkipz_final.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/02-pkipz/01-pkipz_final/pkipz_final.pkl
index a2f99bb3f..83188b08b 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/02-pkipz/01-pkipz_final/pkipz_final.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/02-pkipz/01-pkipz_final/pkipz_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/01-kipz/kipz.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/01-kipz/kipz.pkl
index e76130c67..abb5e59d6 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/01-kipz/kipz.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/01-kipz/kipz.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index b6ba89c8d..f6545d3c9 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-kipz_print/kipz_print.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-kipz_print/kipz_print.pkl
index b15261bb3..1c7ad983c 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-kipz_print/kipz_print.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-kipz_print/kipz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-kipz_n+1/kipz_n+1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-kipz_n+1/kipz_n+1.pkl
index d09661f86..edc1461ad 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-kipz_n+1/kipz_n+1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-kipz_n+1/kipz_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/01-kipz_nspin1_dummy/kipz_nspin1_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/01-kipz_nspin1_dummy/kipz_nspin1_dummy.pkl
index 0947ecdbb..037470135 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/01-kipz_nspin1_dummy/kipz_nspin1_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/01-kipz_nspin1_dummy/kipz_nspin1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl
index 07fc92945..0e99025e4 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/02-convert_files_from_spin2to1/convert_files_from_spin2to1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/03-kipz_nspin1/kipz_nspin1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/03-kipz_nspin1/kipz_nspin1.pkl
index 19d2e068c..f5e7f94c5 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/03-kipz_nspin1/kipz_nspin1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/03-kipz_nspin1/kipz_nspin1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/04-kipz_nspin2_dummy/kipz_nspin2_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/04-kipz_nspin2_dummy/kipz_nspin2_dummy.pkl
index cb7f540cd..b308d4ccc 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/04-kipz_nspin2_dummy/kipz_nspin2_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/04-kipz_nspin2_dummy/kipz_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 65542a5f0..ee8ee7e99 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/05-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/06-kipz_nspin2/kipz_nspin2.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/06-kipz_nspin2/kipz_nspin2.pkl
index e8572d2fc..d4d5f8457 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/06-kipz_nspin2/kipz_nspin2.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/06-kipz_nspin2/kipz_nspin2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-kipz_print/kipz_print.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-kipz_print/kipz_print.pkl
index 53b475384..2b45e61e9 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-kipz_print/kipz_print.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/01-kipz_print/kipz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-kipz_n+1/kipz_n+1.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-kipz_n+1/kipz_n+1.pkl
index 10b446a39..0b9d6f45e 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-kipz_n+1/kipz_n+1.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/01-calculate-screening-via-dscf/02-iteration-2/08-orbital-5/02-kipz_n+1/kipz_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/02-kipz_final/kipz_final.pkl b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/02-kipz_final/kipz_final.pkl
index 27ec0abf6..380e2ce48 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/02-kipz_final/kipz_final.pkl and b/tests/benchmarks/test_singlepoint_h2o_all_dscf0/03-kipz/02-kipz_final/kipz_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl
index bd36dcdd9..fce7167fb 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl
index f1bcd3ddb..089c4eb1c 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
index 0ce2246e3..6f2df5468 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl
index 3e33f78f1..1cd17f3d0 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl
index 45d665a98..bed1f59c6 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-initialization/05-pz_innerloop_init/pz_innerloop_init.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl
new file mode 100644
index 000000000..696a0d17b
Binary files /dev/null and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json
new file mode 100644
index 000000000..61536be64
--- /dev/null
+++ b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_98.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_98.save/K00001/eigenval.xml", "TMP-CP/kc_98.save/K00001/evc.dat", "TMP-CP/kc_98.save/K00001/evc0.dat", "TMP-CP/kc_98.save/K00001/evc0_empty1.dat", "TMP-CP/kc_98.save/K00001/evc_empty1.dat", "TMP-CP/kc_98.save/K00001/evcm.dat", "TMP-CP/kc_98.save/K00001/gkvectors.dat", "TMP-CP/kc_98.save/K00001/hamiltonian.xml", "TMP-CP/kc_98.save/K00001/hamiltonian_emp.xml", "TMP-CP/kc_98.save/K00001/lambda01.dat", "TMP-CP/kc_98.save/K00001/lambdam1.dat", "TMP-CP/kc_98.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_98.save/charge-density.dat", "TMP-CP/kc_98.save/data-file.xml", "TMP-CP/kc_98.save/gvectors.dat", "TMP-CP/kc_98.save/print_counter.xml", "dft_init_nspin1.cpo", "dft_init_nspin1.ham.pkl"]}
\ No newline at end of file
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl
new file mode 100644
index 000000000..9cbff0b1e
Binary files /dev/null and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json
new file mode 100644
index 000000000..b96d772ce
--- /dev/null
+++ b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_99.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/K00001/eigenval1.xml", "TMP-CP/kc_99.save/K00001/eigenval2.xml", "TMP-CP/kc_99.save/K00001/evc01.dat", "TMP-CP/kc_99.save/K00001/evc02.dat", "TMP-CP/kc_99.save/K00001/evc0_empty1.dat", "TMP-CP/kc_99.save/K00001/evc0_empty2.dat", "TMP-CP/kc_99.save/K00001/evc1.dat", "TMP-CP/kc_99.save/K00001/evc2.dat", "TMP-CP/kc_99.save/K00001/evc_empty1.dat", "TMP-CP/kc_99.save/K00001/evc_empty2.dat", "TMP-CP/kc_99.save/K00001/evcm1.dat", "TMP-CP/kc_99.save/K00001/evcm2.dat", "TMP-CP/kc_99.save/K00001/gkvectors.dat", "TMP-CP/kc_99.save/K00001/hamiltonian1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian2.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp2.xml", "TMP-CP/kc_99.save/K00001/lambda01.dat", "TMP-CP/kc_99.save/K00001/lambda02.dat", "TMP-CP/kc_99.save/K00001/lambdam1.dat", "TMP-CP/kc_99.save/K00001/lambdam2.dat", "TMP-CP/kc_99.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/charge-density.dat", "TMP-CP/kc_99.save/data-file.xml", "TMP-CP/kc_99.save/gvectors.dat", "TMP-CP/kc_99.save/print_counter.xml", "TMP-CP/kc_99.save/spin-polarization.dat", "dft_init_nspin2_dummy.cpo", "dft_init_nspin2_dummy.ham.pkl"]}
\ No newline at end of file
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..e4a92bcb1
Binary files /dev/null and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index cd5c53b55..a4a6be3b6 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl
index 177cbb4b2..79e5040da 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 52c983d36..4b8de0461 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl
index c0c7678f6..de48bc06a 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl
index 3a59a163d..59c7c289e 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/03-ki_final/ki_final.pkl
index 464427066..290b5e858 100644
Binary files a/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_singlepoint_h2o_ki_dscf_e0/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/01-dftpw/01-dft/dft.pkl b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/01-dftpw/01-dft/dft.pkl
index 78cef03ca..d61766126 100644
Binary files a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/01-dftpw/01-dft/dft.pkl and b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/01-dftpw/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl
index b77f11b3d..8beb85507 100644
Binary files a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl and b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl
index 32e3e590a..1a44d46fc 100644
Binary files a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl and b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl
index 11e15664d..9a2e3c2bf 100644
Binary files a/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl and b/tests/benchmarks/test_singlepoint_ozone_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl
index 57fc3ce32..22eaf0bcf 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl
index 09002823f..73d110080 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 08a0cf030..beab22a7a 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 5611dcd71..8b955366f 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 4512f524f..7f323485d 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 307ab6bef..860245103 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index a8320963e..8ee0b9a12 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl
index e236ff07f..ba571a31f 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl
index bdbf35d4c..6116f5850 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl
index f14ffbf12..c2c8821ee 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl
index 25d7ad561..02c51c735 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl
index 990687439..21ce0ca30 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl
index dd71abaca..fe7c40ebc 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl
index 4ba6628f4..0f22c9479 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index fc7e354cf..7c615107c 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 33833d564..8d237de1a 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index f9675e974..7f6ae6727 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 02f8d1a37..f86c2e1b5 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index b7d339b64..2dd0d2f0b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 283e336ff..56f32ede4 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl
index 9fa4108cc..7affb5a23 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
index 5a8c31e70..2c50a9234 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
index 4bb2c68c7..f0ae25e9b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl
index 5b9e8d4e9..007e4ad3e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl
index c7ad6c48c..107da52e3 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 63bd42bd8..083592086 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index bf9e0dfdf..8bdec5932 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 21eb25e68..d418f8df2 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 3b30ccd7d..aeab92f5a 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index a2e4ac744..2cb77e856 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 67d431021..ac3fb15da 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl
index d4860a8e6..029e7c784 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/01-wannier/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl
index 05ed5fd11..1696e518e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl
index a6464e8f0..0b5a4295c 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/03-screening/01-kc_screen/kc_screen.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl
index 1a324be5f..5fd659e95 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/04-kc_ham/kc_ham.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl
index b47e73530..38fc83513 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl
index e96429496..c0d3085b5 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 00e75c0a6..29f5c9117 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 5fb977fe9..4c82f38ce 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 162d1f039..96822e39e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index ed0d54309..65b3251db 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 2186807e6..3633da42d 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 3b28cf2ed..2f77973c3 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl
index 38391a858..0bf892d39 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/01-wannierize/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
index 9de978070..11966bd16 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
index 65af6316e..8731595a2 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dfpt_ex0/01-koopmans-dfpt/05-postproc/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
index ef72a814c..8986ac943 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
index b0982c523..4365cd071 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 611e7e2ea..ebfd1aecc 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 0838e9236..2f1f26987 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index cd688b42b..40d2b31a0 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 6edb8d0e4..6029620f4 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 01e31d52e..18a09bd16 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index cf6b1a7f8..5b91a7066 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
index c102fffef..89dcffb02 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
index e3bd7d35f..a9525c68d 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
index abf2e0a38..9e8b99d53 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
index c03c0926c..6ba98f143 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 33194ca53..266a024e9 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl
index ee21763f1..a8e240f75 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 8ff3dcde8..0a0df13ea 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl
index d2814b94f..b8262eab1 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl
index 0251ce56a..ffba81572 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/03-ki_final/ki_final.pkl
index 4172b0264..6e81b5c69 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl
index 283a69b8a..8ff931d70 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl
index baddae808..ea6e7afdb 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 598a02bbd..d598410a0 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 618eaa97c..ab8139395 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
index c10c894db..6d947bd3f 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 15e090141..7aaab2b32 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 1c68e6df8..d596b1a22 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
index 42856fd36..edfef1b71 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl
index a726d7bb9..9413409d6 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl
index 36e2340e8..b2deec525 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
index 554055742..dbbfc7a7e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
index 98178a5f8..966ea9e7c 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Fa0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
index 1debfea7c..5a2633a4a 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
index 31fdec1c0..a6695c613 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 2acc2e0c6..b7b31e010 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl
index 25351c38e..21045bd5d 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl
index bbca0b63e..e74bf5738 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 5d3dd316b..1c0dfedee 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl
index 326f91d03..3a7d83433 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl
index eaf59f3e6..0d9987b4b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 01dd61a9e..51fee5f53 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl
index 2dfa0780f..7486cd241 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl
index 59d02149f..572cff2c1 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index df99ff408..0c4248977 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl
index bc3d963de..a67657f62 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl
index 69242c349..c26e84367 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_spin_up_block_1_to_supercell_spinup/convert_spin_up_block_1_to_supercell_spinup.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_spin_up_block_1_to_supercell_spinup/convert_spin_up_block_1_to_supercell_spinup.pkl
index ca02f4c5a..005edd6e8 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_spin_up_block_1_to_supercell_spinup/convert_spin_up_block_1_to_supercell_spinup.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_spin_up_block_1_to_supercell_spinup/convert_spin_up_block_1_to_supercell_spinup.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_spin_up_block_2_to_supercell_spinup/convert_spin_up_block_2_to_supercell_spinup.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_spin_up_block_2_to_supercell_spinup/convert_spin_up_block_2_to_supercell_spinup.pkl
index a65534f05..343be121e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_spin_up_block_2_to_supercell_spinup/convert_spin_up_block_2_to_supercell_spinup.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_spin_up_block_2_to_supercell_spinup/convert_spin_up_block_2_to_supercell_spinup.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_spin_down_block_1_to_supercell_spindown/convert_spin_down_block_1_to_supercell_spindown.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_spin_down_block_1_to_supercell_spindown/convert_spin_down_block_1_to_supercell_spindown.pkl
index 3337081a5..05004d53d 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_spin_down_block_1_to_supercell_spindown/convert_spin_down_block_1_to_supercell_spindown.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/03-convert_spin_down_block_1_to_supercell_spindown/convert_spin_down_block_1_to_supercell_spindown.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/04-convert_spin_down_block_2_to_supercell_spindown/convert_spin_down_block_2_to_supercell_spindown.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/04-convert_spin_down_block_2_to_supercell_spindown/convert_spin_down_block_2_to_supercell_spindown.pkl
index 0b7a260b1..9ea208fda 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/04-convert_spin_down_block_2_to_supercell_spindown/convert_spin_down_block_2_to_supercell_spindown.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/02-fold-to-supercell/04-convert_spin_down_block_2_to_supercell_spindown/convert_spin_down_block_2_to_supercell_spindown.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
index a02918ee7..6e1b6b9f4 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
index 9c47a98a9..3e4368789 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
index 87dfb4c78..2986f9b80 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32-spin-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32-spin-1/01-dft_n-1/dft_n-1.pkl
index 7c0636145..271923f11 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32-spin-1/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32-spin-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 38e55320d..5f543e5e9 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/02-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/02-pz_print/pz_print.pkl
index a8546d648..e7bdf7150 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/03-dft_n+1/dft_n+1.pkl
index 5f2ca6155..5be756060 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/03-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33-spin-1/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-32-spin-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-32-spin-2/01-dft_n-1/dft_n-1.pkl
index a19e1ba36..832d598bd 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-32-spin-2/01-dft_n-1/dft_n-1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-32-spin-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..e22f9740c
Binary files /dev/null and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-koopmans-cp-with-spin-swap/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-koopmans-cp-with-spin-swap/01-dft_n+1_dummy/dft_n+1_dummy.pkl
index 2adc851de..87c71aace 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-koopmans-cp-with-spin-swap/01-dft_n+1_dummy/dft_n+1_dummy.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/01-koopmans-cp-with-spin-swap/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/02-pz_print/pz_print.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/02-pz_print/pz_print.pkl
index 9528c688f..77ab43752 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/02-pz_print/pz_print.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/03-koopmans-cp-with-spin-swap/01-dft_n+1/dft_n+1.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/03-koopmans-cp-with-spin-swap/01-dft_n+1/dft_n+1.pkl
index 9c7e17885..f56c4965b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/03-koopmans-cp-with-spin-swap/01-dft_n+1/dft_n+1.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-33-spin-2/03-koopmans-cp-with-spin-swap/01-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/03-ki_final/ki_final.pkl
index aa1a86717..b2e76dcd8 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/03-ki_final/ki_final.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl
index 993a86a56..fc241ff10 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl
index deeac2787..afbb88a89 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index 589f1cae2..38e92ea72 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl
index b7a3e995f..087e434b1 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl
index ddc8092f6..efc590d0c 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-spin-up-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index d2aef75e7..2bc560c60 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl
index 7efdf1b60..cf341f63e 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl
index 6c5692b4a..e4b67aed6 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-spin-up-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index c8ccc060f..dfa9ad56f 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl
index ce4850395..245e8f8ff 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl
index aa829c3d2..6e97e11af 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-wannierize-spin-down-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 0ef54a77a..24953cd2b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl
index abb1dfb4b..51c54e39b 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl
index a469a0c35..c030c6642 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-wannierize-spin-down-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl
index 41f867c14..bd8248b36 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/07-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/08-projwfc/projwfc.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/08-projwfc/projwfc.pkl
index ede105a17..b5dc64252 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/08-projwfc/projwfc.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/08-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ_up/unfold_and_interpolate_occ_up.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ_up/unfold_and_interpolate_occ_up.pkl
index a686831d9..797d7790c 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ_up/unfold_and_interpolate_occ_up.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ_up/unfold_and_interpolate_occ_up.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp_up/unfold_and_interpolate_emp_up.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp_up/unfold_and_interpolate_emp_up.pkl
index 3c7729c12..3aaa178a9 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp_up/unfold_and_interpolate_emp_up.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp_up/unfold_and_interpolate_emp_up.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/04-unfold_and_interpolate_occ_down/unfold_and_interpolate_occ_down.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/04-unfold_and_interpolate_occ_down/unfold_and_interpolate_occ_down.pkl
index 2c74354ec..728d8903f 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/04-unfold_and_interpolate_occ_down/unfold_and_interpolate_occ_down.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/04-unfold_and_interpolate_occ_down/unfold_and_interpolate_occ_down.pkl differ
diff --git a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/05-unfold_and_interpolate_emp_down/unfold_and_interpolate_emp_down.pkl b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/05-unfold_and_interpolate_emp_down/unfold_and_interpolate_emp_down.pkl
index b039b8ee2..32f9f0bcf 100644
Binary files a/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/05-unfold_and_interpolate_emp_down/unfold_and_interpolate_emp_down.pkl and b/tests/benchmarks/test_singlepoint_si_ki_dscf_Tr0/01-koopmans-dscf/04-unfold-and-interpolate/05-unfold_and_interpolate_emp_down/unfold_and_interpolate_emp_down.pkl differ
diff --git a/tests/benchmarks/test_ui_si0/unfold_and_interpolate.pkl b/tests/benchmarks/test_ui_si0/unfold_and_interpolate.pkl
index ac233a49a..0e34e8972 100644
Binary files a/tests/benchmarks/test_ui_si0/unfold_and_interpolate.pkl and b/tests/benchmarks/test_ui_si0/unfold_and_interpolate.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/01-scf/scf.pkl b/tests/benchmarks/test_wannierize_tio20/01-scf/scf.pkl
index 4d59f126a..d57cf60a3 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/01-scf/scf.pkl and b/tests/benchmarks/test_wannierize_tio20/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/02-nscf/nscf.pkl b/tests/benchmarks/test_wannierize_tio20/02-nscf/nscf.pkl
index 5eb4522cf..09e566b6e 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/02-nscf/nscf.pkl and b/tests/benchmarks/test_wannierize_tio20/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
index d5aacf349..fc971d9f0 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
index 1f98212da..1988e8893 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/03-wannier90/wannier90.pkl
index 8c92536d6..6c493ff5a 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
index 4ff6fa2c7..77affde69 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
index 4800a6bfb..e4e5ab5b3 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/03-wannier90/wannier90.pkl
index f60075692..1f88cd744 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
index 9ba3c4a01..1f74b3a42 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
index 768420d74..410f660a6 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/03-wannier90/wannier90.pkl
index 7cb59cf93..0f39cf553 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/05-wannierize-block-3/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl
index de2e5bd59..1beb0d006 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl
index 755b152bd..a6a031be6 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/03-wannier90/wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/03-wannier90/wannier90.pkl
index 09f6db18c..34a2b7dc6 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/06-wannierize-block-4/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl
index f783f21ec..8cbd4a77a 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl and b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl
index 648e44963..7da5cefa2 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/03-wannier90/wannier90.pkl b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/03-wannier90/wannier90.pkl
index c75b2683e..0dea5e608 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/03-wannier90/wannier90.pkl and b/tests/benchmarks/test_wannierize_tio20/07-wannierize-block-5/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/08-bands/bands.pkl b/tests/benchmarks/test_wannierize_tio20/08-bands/bands.pkl
index 0ee843618..990992b97 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/08-bands/bands.pkl and b/tests/benchmarks/test_wannierize_tio20/08-bands/bands.pkl differ
diff --git a/tests/benchmarks/test_wannierize_tio20/09-projwfc/projwfc.pkl b/tests/benchmarks/test_wannierize_tio20/09-projwfc/projwfc.pkl
index 5b420af44..c3ada071b 100644
Binary files a/tests/benchmarks/test_wannierize_tio20/09-projwfc/projwfc.pkl and b/tests/benchmarks/test_wannierize_tio20/09-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl
deleted file mode 100644
index 23666d702..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl
deleted file mode 100644
index 266fd079c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 12e362aaa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl
deleted file mode 100644
index c11e7f511..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 70d6f603e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index fb9d500bf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a739050ff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 6b88ec5bb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9c9b984ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7e4fbd98d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 061b24f05..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 21f363612..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f91c2ab32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0fc20b2bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index e02b645a8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl
deleted file mode 100644
index 979b6566d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index f5a030c77..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 8cdd7a899..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl
new file mode 100644
index 000000000..c68422070
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/01-dft_init_nspin1/dft_init_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl
new file mode 100644
index 000000000..f15927aca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/02-dft_init_nspin2_dummy/dft_init_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..1da527e0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl
new file mode 100644
index 000000000..b7c783e66
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/01-initialization/04-dft_init_nspin2/dft_init_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..986125e40
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..07000e9aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..14bafb94e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d4511a550
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1874f797a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..109aa6369
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-5/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d3aff5a95
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-6/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..683def3f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-7/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..424a691f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/09-orbital-8/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ffd91da72
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/10-orbital-9/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..648f40076
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..7e2859cd5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..70731edee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/11-orbital-10/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..ae413d39f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_1/test_run/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index d1fc013fc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index bc7965d37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 5a8d30688..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 855eb1b58..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 08a8f54d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 28459f9bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c285a26d7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 282eb0743..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 7ff7e4273..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8f4b30cf5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 1a00cccba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index abd402023..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index de4f6f424..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2153cfa39..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 911e370f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl
deleted file mode 100644
index aeadc167a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 2c6ae3f9b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 2f5998ae7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index cfe2d39db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 94170cf5f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index f7325bdd8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index ceca83b42..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 67a6f6930..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 809b7c3f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index ce4dbc396..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 54b45d4dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl
deleted file mode 100644
index ff604da2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl
deleted file mode 100644
index 9ea9c1cdc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
deleted file mode 100644
index ab528ccdf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
deleted file mode 100644
index 74c368df3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/01-scf/scf.pkl
deleted file mode 100644
index c68f1db1d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/02-nscf/nscf.pkl
deleted file mode 100644
index 4791dc48d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 85401999e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 488adddfc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index c1ed2adea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 49101b106..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 46c4054a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 4d21dd8d1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/05-bands/bands.pkl
deleted file mode 100644
index 15a34fa52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/05-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/projwfc.pkl
deleted file mode 100644
index 4373bf4cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/01-scf/scf.pkl
deleted file mode 100644
index 229439a07..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/02-nscf/nscf.pkl
deleted file mode 100644
index 50b27016e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c8ae199ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 46c4d42ff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 796789539..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 46e0466ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a2696e767..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 40d2260cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/05-bands/bands.pkl
deleted file mode 100644
index 858f473bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/05-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/projwfc.pkl
deleted file mode 100644
index b9f73636d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/01-scf/scf.pkl
deleted file mode 100644
index 43bf9b2e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/02-nscf/nscf.pkl
deleted file mode 100644
index eaf0191e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 277c9ae82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 125a15f10..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9f5a5b5b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 23c413d40..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c859629c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 361eec4d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/05-bands/bands.pkl
deleted file mode 100644
index 6b93d05a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/05-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/projwfc.pkl
deleted file mode 100644
index 15fb62a3d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..fdf0e792a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..ec9a439bd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..183bca077
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f13f8a87b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..1961fd10e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7cf15803c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..23211fe3c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..547b18717
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..e762eca9a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..dadf41f28
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..1cb0ec3e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..b3ee6003f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..d4fe9c058
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f9619d50c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-orbital-32/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b65e85aa5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
new file mode 100644
index 000000000..7b2351abc
--- /dev/null
+++ b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["pseudopotentials/Si.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_65.save/K00001/eigenval1.xml", "TMP-CP/kc_65.save/K00001/eigenval2.xml", "TMP-CP/kc_65.save/K00001/evc01.dat", "TMP-CP/kc_65.save/K00001/evc02.dat", "TMP-CP/kc_65.save/K00001/evc1.dat", "TMP-CP/kc_65.save/K00001/evc2.dat", "TMP-CP/kc_65.save/K00001/evcm1.dat", "TMP-CP/kc_65.save/K00001/evcm2.dat", "TMP-CP/kc_65.save/K00001/gkvectors.dat", "TMP-CP/kc_65.save/K00001/hamiltonian1.xml", "TMP-CP/kc_65.save/K00001/hamiltonian2.xml", "TMP-CP/kc_65.save/K00001/lambda01.dat", "TMP-CP/kc_65.save/K00001/lambda02.dat", "TMP-CP/kc_65.save/K00001/lambdam1.dat", "TMP-CP/kc_65.save/K00001/lambdam2.dat", "TMP-CP/kc_65.save/Si.upf", "TMP-CP/kc_65.save/charge-density.dat", "TMP-CP/kc_65.save/data-file.xml", "TMP-CP/kc_65.save/gvectors.dat", "TMP-CP/kc_65.save/print_counter.xml", "TMP-CP/kc_65.save/spin-polarization.dat", "dft_n+1_dummy.cpo", "dft_n+1_dummy.ham.pkl"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..84e6736d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..b766ad7ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-33/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..da47963c5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..dd5c9d6c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..4f3849901
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..33b8d2e8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..4595eea90
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..dbc91365e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8c08101ce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..1867a4aba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..af2b8afa7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl
new file mode 100644
index 000000000..144070506
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/05-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#1(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_atm#2(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_tot b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/Wannierize.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl
new file mode 100644
index 000000000..73c7b107e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/01-wannierize/06-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl
new file mode 100644
index 000000000..89b5243a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/02-unfold_and_interpolate_occ/unfold_and_interpolate_occ.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl
new file mode 100644
index 000000000..7d589858e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_run_ki/01-koopmans-dscf/04-unfold-and-interpolate/03-unfold_and_interpolate_emp/unfold_and_interpolate_emp.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/01-scf/scf.pkl
new file mode 100644
index 000000000..0c9c7c908
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/02-nscf/nscf.pkl
new file mode 100644
index 000000000..2b62bbd29
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..fa21675c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e2cf452b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..e2729a24e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..6aeaca0ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..484401581
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4e38f2c40
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/05-bands/bands.pkl
new file mode 100644
index 000000000..5307cc658
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/05-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/05-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/05-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/05-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/projwfc.pkl
new file mode 100644
index 000000000..a86a2621f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_tot b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/2x2x2/06-projwfc/si.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/2x2x2/06-projwfc/si.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/01-scf/scf.pkl
new file mode 100644
index 000000000..f9f0fc2cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/02-nscf/nscf.pkl
new file mode 100644
index 000000000..5e97381d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..fbe14be27
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c2d5d9b62
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..d15b742aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..3c8f9a797
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..6ec4d7344
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..3adb5bc02
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/05-bands/bands.pkl
new file mode 100644
index 000000000..144fa759a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/05-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/05-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/05-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/05-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/projwfc.pkl
new file mode 100644
index 000000000..84e2bb083
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_tot b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/4x4x4/06-projwfc/si.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/4x4x4/06-projwfc/si.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/01-scf/scf.pkl
new file mode 100644
index 000000000..536d05629
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/02-nscf/nscf.pkl
new file mode 100644
index 000000000..60f9f3bf5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..447d25e19
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..def25bad0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..761b94686
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..67d9ad219
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c90937043
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5b750a435
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/05-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/05-bands/bands.pkl
new file mode 100644
index 000000000..86fded333
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/05-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/05-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/05-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/05-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/05-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/projwfc.pkl
new file mode 100644
index 000000000..43001799e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#1(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_atm#2(Si)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_tot b/tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_2/8x8x8/06-projwfc/si.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_2/test_wannierize/8x8x8/06-projwfc/si.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_3/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/01-scf/scf.pkl
deleted file mode 100644
index b76f993d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_3/02-nscf/nscf.pkl
deleted file mode 100644
index bea736120..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 534db4b9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2d691665f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index ff57cefa1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 597e7f00f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 6d215f38d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index dfd14a038..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2208728c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index fc29a74f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/03-wannier90/wannier90.pkl
deleted file mode 100644
index f61e9e025..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 11e471f4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0b1287f39..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9e6f8af69..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index f467ee8c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 661b403e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/03-wannier90/wannier90.pkl
deleted file mode 100644
index c76adb205..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/08-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/08-bands/bands.pkl
deleted file mode 100644
index dc61ef986..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/08-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/09-projwfc/projwfc.pkl
deleted file mode 100644
index d10076ac3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl
deleted file mode 100644
index f21bf205c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl
deleted file mode 100644
index beb97b250..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index fdcc3326a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 73cbf834e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 589eb37e0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c59e25229..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0b7fbb530..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 4bd03942f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 0baef61b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index ec31c5bc0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl
deleted file mode 100644
index 2a81fad5e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index d5762a50c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 79eccfe4d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl
deleted file mode 100644
index 388474e49..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2abae51d0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2664741df..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl
deleted file mode 100644
index b947a183a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl
deleted file mode 100644
index f71ed99b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl
deleted file mode 100644
index 6a62de064..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl
deleted file mode 100644
index 36b81262f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl
deleted file mode 100644
index b6022b025..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl
deleted file mode 100644
index 2bd5f71ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl
deleted file mode 100644
index cd8a791d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl b/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl
deleted file mode 100644
index 091fd8fcc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf.pkl
deleted file mode 100644
index 7b1f21584..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf_metadata.json
deleted file mode 100644
index 9f2560ad0..000000000
--- a/tests/benchmarks/tutorials/tutorial_3/dft_bands/01-scf/scf_metadata.json
+++ /dev/null
@@ -1 +0,0 @@
-{"input_files": ["pseudopotentials/O.upf", "pseudopotentials/Zn.upf"], "output_files": ["TMP/kc.save/O.upf", "TMP/kc.save/Zn.upf", "TMP/kc.save/charge-density.dat", "TMP/kc.save/data-file-schema.xml", "TMP/kc.save/wfc1.dat", "TMP/kc.save/wfc10.dat", "TMP/kc.save/wfc11.dat", "TMP/kc.save/wfc12.dat", "TMP/kc.save/wfc13.dat", "TMP/kc.save/wfc14.dat", "TMP/kc.save/wfc15.dat", "TMP/kc.save/wfc16.dat", "TMP/kc.save/wfc17.dat", "TMP/kc.save/wfc18.dat", "TMP/kc.save/wfc19.dat", "TMP/kc.save/wfc2.dat", "TMP/kc.save/wfc20.dat", "TMP/kc.save/wfc21.dat", "TMP/kc.save/wfc3.dat", "TMP/kc.save/wfc4.dat", "TMP/kc.save/wfc5.dat", "TMP/kc.save/wfc6.dat", "TMP/kc.save/wfc7.dat", "TMP/kc.save/wfc8.dat", "TMP/kc.save/wfc9.dat", "TMP/kc.xml", "scf.pwo"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands.pkl
deleted file mode 100644
index 4b215fab8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands_metadata.json
deleted file mode 100644
index 131116e63..000000000
--- a/tests/benchmarks/tutorials/tutorial_3/dft_bands/02-bands/bands_metadata.json
+++ /dev/null
@@ -1 +0,0 @@
-{"input_files": ["pseudopotentials/O.upf", "pseudopotentials/Zn.upf"], "output_files": ["bands.pwo"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc.pkl
deleted file mode 100644
index 3a107171f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc_metadata.json
deleted file mode 100644
index 0ae93065f..000000000
--- a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/projwfc_metadata.json
+++ /dev/null
@@ -1 +0,0 @@
-{"input_files": [], "output_files": ["projwfc.pro"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl
new file mode 100644
index 000000000..73646a3da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl
new file mode 100644
index 000000000..24abac64f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d4eef0997
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e09e7ff96
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..49d8f2e16
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..563438bd9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..61785633e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..eee120f9c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..3a2d2f8f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..23239ccbf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..56505da8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8545ad555
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8de07ea86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..561829e03
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..be1a4979f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f4f5eeefd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..180f9d571
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl
new file mode 100644
index 000000000..d9ba04f59
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/08-merge_occ_wannier_hamiltonian/merge_occ_wannier_hamiltonian.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl
new file mode 100644
index 000000000..fc122784d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/09-merge_occ_wannier_u/merge_occ_wannier_u.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl
new file mode 100644
index 000000000..9fb1ac55f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/10-merge_occ_wannier_centers/merge_occ_wannier_centers.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl
new file mode 100644
index 000000000..94062415d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/11-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#1(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#2(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#3(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_atm#4(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_tot b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/Wannierize.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl
new file mode 100644
index 000000000..622326135
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/01-wannier/12-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl
new file mode 100644
index 000000000..0f3f30fb7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/02-wann2kc/wann2kc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl
new file mode 100644
index 000000000..30c71cdbb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_ki/dfpt/01-koopmans-dfpt/03-kc_ham/kc_ham_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/01-scf/scf.pkl
new file mode 100644
index 000000000..8f805369a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands.pkl
new file mode 100644
index 000000000..a43625b8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands_metadata.json
new file mode 100644
index 000000000..5ada16e82
--- /dev/null
+++ b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/02-bands/bands_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["../TMP/kc.save/O.upf", "../TMP/kc.save/Zn.upf", "../TMP/kc.save/atomic_proj.xml", "../TMP/kc.save/charge-density.dat", "../TMP/kc.save/data-file-schema.xml", "../TMP/kc.save/wfc1.dat", "../TMP/kc.save/wfc10.dat", "../TMP/kc.save/wfc11.dat", "../TMP/kc.save/wfc12.dat", "../TMP/kc.save/wfc13.dat", "../TMP/kc.save/wfc14.dat", "../TMP/kc.save/wfc15.dat", "../TMP/kc.save/wfc16.dat", "../TMP/kc.save/wfc17.dat", "../TMP/kc.save/wfc18.dat", "../TMP/kc.save/wfc19.dat", "../TMP/kc.save/wfc2.dat", "../TMP/kc.save/wfc20.dat", "../TMP/kc.save/wfc21.dat", "../TMP/kc.save/wfc22.dat", "../TMP/kc.save/wfc23.dat", "../TMP/kc.save/wfc24.dat", "../TMP/kc.save/wfc25.dat", "../TMP/kc.save/wfc26.dat", "../TMP/kc.save/wfc27.dat", "../TMP/kc.save/wfc28.dat", "../TMP/kc.save/wfc29.dat", "../TMP/kc.save/wfc3.dat", "../TMP/kc.save/wfc30.dat", "../TMP/kc.save/wfc31.dat", "../TMP/kc.save/wfc32.dat", "../TMP/kc.save/wfc33.dat", "../TMP/kc.save/wfc34.dat", "../TMP/kc.save/wfc35.dat", "../TMP/kc.save/wfc36.dat", "../TMP/kc.save/wfc37.dat", "../TMP/kc.save/wfc38.dat", "../TMP/kc.save/wfc39.dat", "../TMP/kc.save/wfc4.dat", "../TMP/kc.save/wfc40.dat", "../TMP/kc.save/wfc41.dat", "../TMP/kc.save/wfc42.dat", "../TMP/kc.save/wfc43.dat", "../TMP/kc.save/wfc44.dat", "../TMP/kc.save/wfc45.dat", "../TMP/kc.save/wfc46.dat", "../TMP/kc.save/wfc47.dat", "../TMP/kc.save/wfc48.dat", "../TMP/kc.save/wfc49.dat", "../TMP/kc.save/wfc5.dat", "../TMP/kc.save/wfc50.dat", "../TMP/kc.save/wfc51.dat", "../TMP/kc.save/wfc52.dat", "../TMP/kc.save/wfc53.dat", "../TMP/kc.save/wfc54.dat", "../TMP/kc.save/wfc55.dat", "../TMP/kc.save/wfc56.dat", "../TMP/kc.save/wfc57.dat", "../TMP/kc.save/wfc58.dat", "../TMP/kc.save/wfc59.dat", "../TMP/kc.save/wfc6.dat", "../TMP/kc.save/wfc60.dat", "../TMP/kc.save/wfc61.dat", "../TMP/kc.save/wfc62.dat", "../TMP/kc.save/wfc63.dat", "../TMP/kc.save/wfc64.dat", "../TMP/kc.save/wfc7.dat", "../TMP/kc.save/wfc8.dat", "../TMP/kc.save/wfc9.dat", "../TMP/kc.xml", "../TMP/kc_bands.save/O.upf", "../TMP/kc_bands.save/Zn.upf", "../TMP/kc_bands.save/atomic_proj.xml", "../TMP/kc_bands.save/charge-density.dat", "../TMP/kc_bands.save/data-file-schema.xml", "../TMP/kc_bands.save/wfc1.dat", "../TMP/kc_bands.save/wfc10.dat", "../TMP/kc_bands.save/wfc11.dat", "../TMP/kc_bands.save/wfc12.dat", "../TMP/kc_bands.save/wfc13.dat", "../TMP/kc_bands.save/wfc14.dat", "../TMP/kc_bands.save/wfc15.dat", "../TMP/kc_bands.save/wfc16.dat", "../TMP/kc_bands.save/wfc17.dat", "../TMP/kc_bands.save/wfc18.dat", "../TMP/kc_bands.save/wfc19.dat", "../TMP/kc_bands.save/wfc2.dat", "../TMP/kc_bands.save/wfc20.dat", "../TMP/kc_bands.save/wfc21.dat", "../TMP/kc_bands.save/wfc22.dat", "../TMP/kc_bands.save/wfc23.dat", "../TMP/kc_bands.save/wfc24.dat", "../TMP/kc_bands.save/wfc25.dat", "../TMP/kc_bands.save/wfc26.dat", "../TMP/kc_bands.save/wfc27.dat", "../TMP/kc_bands.save/wfc28.dat", "../TMP/kc_bands.save/wfc29.dat", "../TMP/kc_bands.save/wfc3.dat", "../TMP/kc_bands.save/wfc30.dat", "../TMP/kc_bands.save/wfc31.dat", "../TMP/kc_bands.save/wfc32.dat", "../TMP/kc_bands.save/wfc33.dat", "../TMP/kc_bands.save/wfc34.dat", "../TMP/kc_bands.save/wfc35.dat", "../TMP/kc_bands.save/wfc36.dat", "../TMP/kc_bands.save/wfc37.dat", "../TMP/kc_bands.save/wfc38.dat", "../TMP/kc_bands.save/wfc39.dat", "../TMP/kc_bands.save/wfc4.dat", "../TMP/kc_bands.save/wfc40.dat", "../TMP/kc_bands.save/wfc41.dat", "../TMP/kc_bands.save/wfc42.dat", "../TMP/kc_bands.save/wfc43.dat", "../TMP/kc_bands.save/wfc44.dat", "../TMP/kc_bands.save/wfc45.dat", "../TMP/kc_bands.save/wfc46.dat", "../TMP/kc_bands.save/wfc47.dat", "../TMP/kc_bands.save/wfc48.dat", "../TMP/kc_bands.save/wfc49.dat", "../TMP/kc_bands.save/wfc5.dat", "../TMP/kc_bands.save/wfc50.dat", "../TMP/kc_bands.save/wfc51.dat", "../TMP/kc_bands.save/wfc52.dat", "../TMP/kc_bands.save/wfc53.dat", "../TMP/kc_bands.save/wfc54.dat", "../TMP/kc_bands.save/wfc55.dat", "../TMP/kc_bands.save/wfc56.dat", "../TMP/kc_bands.save/wfc57.dat", "../TMP/kc_bands.save/wfc58.dat", "../TMP/kc_bands.save/wfc59.dat", "../TMP/kc_bands.save/wfc6.dat", "../TMP/kc_bands.save/wfc60.dat", "../TMP/kc_bands.save/wfc61.dat", "../TMP/kc_bands.save/wfc62.dat", "../TMP/kc_bands.save/wfc63.dat", "../TMP/kc_bands.save/wfc64.dat", "../TMP/kc_bands.save/wfc7.dat", "../TMP/kc_bands.save/wfc8.dat", "../TMP/kc_bands.save/wfc9.dat", "../TMP/kc_bands.xml", "pseudopotentials/O.upf", "pseudopotentials/Zn.upf"], "output_files": ["bands.pwo"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc.pkl
new file mode 100644
index 000000000..74d5f9998
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc_metadata.json
new file mode 100644
index 000000000..7ce3389fd
--- /dev/null
+++ b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/projwfc_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["../TMP/kc.save/O.upf", "../TMP/kc.save/Zn.upf", "../TMP/kc.save/atomic_proj.xml", "../TMP/kc.save/charge-density.dat", "../TMP/kc.save/data-file-schema.xml", "../TMP/kc.save/wfc1.dat", "../TMP/kc.save/wfc10.dat", "../TMP/kc.save/wfc11.dat", "../TMP/kc.save/wfc12.dat", "../TMP/kc.save/wfc13.dat", "../TMP/kc.save/wfc14.dat", "../TMP/kc.save/wfc15.dat", "../TMP/kc.save/wfc16.dat", "../TMP/kc.save/wfc17.dat", "../TMP/kc.save/wfc18.dat", "../TMP/kc.save/wfc19.dat", "../TMP/kc.save/wfc2.dat", "../TMP/kc.save/wfc20.dat", "../TMP/kc.save/wfc21.dat", "../TMP/kc.save/wfc22.dat", "../TMP/kc.save/wfc23.dat", "../TMP/kc.save/wfc24.dat", "../TMP/kc.save/wfc25.dat", "../TMP/kc.save/wfc26.dat", "../TMP/kc.save/wfc27.dat", "../TMP/kc.save/wfc28.dat", "../TMP/kc.save/wfc29.dat", "../TMP/kc.save/wfc3.dat", "../TMP/kc.save/wfc30.dat", "../TMP/kc.save/wfc31.dat", "../TMP/kc.save/wfc32.dat", "../TMP/kc.save/wfc33.dat", "../TMP/kc.save/wfc34.dat", "../TMP/kc.save/wfc35.dat", "../TMP/kc.save/wfc36.dat", "../TMP/kc.save/wfc37.dat", "../TMP/kc.save/wfc38.dat", "../TMP/kc.save/wfc39.dat", "../TMP/kc.save/wfc4.dat", "../TMP/kc.save/wfc40.dat", "../TMP/kc.save/wfc41.dat", "../TMP/kc.save/wfc42.dat", "../TMP/kc.save/wfc43.dat", "../TMP/kc.save/wfc44.dat", "../TMP/kc.save/wfc45.dat", "../TMP/kc.save/wfc46.dat", "../TMP/kc.save/wfc47.dat", "../TMP/kc.save/wfc48.dat", "../TMP/kc.save/wfc49.dat", "../TMP/kc.save/wfc5.dat", "../TMP/kc.save/wfc50.dat", "../TMP/kc.save/wfc51.dat", "../TMP/kc.save/wfc52.dat", "../TMP/kc.save/wfc53.dat", "../TMP/kc.save/wfc54.dat", "../TMP/kc.save/wfc55.dat", "../TMP/kc.save/wfc56.dat", "../TMP/kc.save/wfc57.dat", "../TMP/kc.save/wfc58.dat", "../TMP/kc.save/wfc59.dat", "../TMP/kc.save/wfc6.dat", "../TMP/kc.save/wfc60.dat", "../TMP/kc.save/wfc61.dat", "../TMP/kc.save/wfc62.dat", "../TMP/kc.save/wfc63.dat", "../TMP/kc.save/wfc64.dat", "../TMP/kc.save/wfc7.dat", "../TMP/kc.save/wfc8.dat", "../TMP/kc.save/wfc9.dat", "../TMP/kc.xml", "../TMP/kc_bands.save/O.upf", "../TMP/kc_bands.save/Zn.upf", "../TMP/kc_bands.save/atomic_proj.xml", "../TMP/kc_bands.save/charge-density.dat", "../TMP/kc_bands.save/data-file-schema.xml", "../TMP/kc_bands.save/wfc1.dat", "../TMP/kc_bands.save/wfc10.dat", "../TMP/kc_bands.save/wfc11.dat", "../TMP/kc_bands.save/wfc12.dat", "../TMP/kc_bands.save/wfc13.dat", "../TMP/kc_bands.save/wfc14.dat", "../TMP/kc_bands.save/wfc15.dat", "../TMP/kc_bands.save/wfc16.dat", "../TMP/kc_bands.save/wfc17.dat", "../TMP/kc_bands.save/wfc18.dat", "../TMP/kc_bands.save/wfc19.dat", "../TMP/kc_bands.save/wfc2.dat", "../TMP/kc_bands.save/wfc20.dat", "../TMP/kc_bands.save/wfc21.dat", "../TMP/kc_bands.save/wfc22.dat", "../TMP/kc_bands.save/wfc23.dat", "../TMP/kc_bands.save/wfc24.dat", "../TMP/kc_bands.save/wfc25.dat", "../TMP/kc_bands.save/wfc26.dat", "../TMP/kc_bands.save/wfc27.dat", "../TMP/kc_bands.save/wfc28.dat", "../TMP/kc_bands.save/wfc29.dat", "../TMP/kc_bands.save/wfc3.dat", "../TMP/kc_bands.save/wfc30.dat", "../TMP/kc_bands.save/wfc31.dat", "../TMP/kc_bands.save/wfc32.dat", "../TMP/kc_bands.save/wfc33.dat", "../TMP/kc_bands.save/wfc34.dat", "../TMP/kc_bands.save/wfc35.dat", "../TMP/kc_bands.save/wfc36.dat", "../TMP/kc_bands.save/wfc37.dat", "../TMP/kc_bands.save/wfc38.dat", "../TMP/kc_bands.save/wfc39.dat", "../TMP/kc_bands.save/wfc4.dat", "../TMP/kc_bands.save/wfc40.dat", "../TMP/kc_bands.save/wfc41.dat", "../TMP/kc_bands.save/wfc42.dat", "../TMP/kc_bands.save/wfc43.dat", "../TMP/kc_bands.save/wfc44.dat", "../TMP/kc_bands.save/wfc45.dat", "../TMP/kc_bands.save/wfc46.dat", "../TMP/kc_bands.save/wfc47.dat", "../TMP/kc_bands.save/wfc48.dat", "../TMP/kc_bands.save/wfc49.dat", "../TMP/kc_bands.save/wfc5.dat", "../TMP/kc_bands.save/wfc50.dat", "../TMP/kc_bands.save/wfc51.dat", "../TMP/kc_bands.save/wfc52.dat", "../TMP/kc_bands.save/wfc53.dat", "../TMP/kc_bands.save/wfc54.dat", "../TMP/kc_bands.save/wfc55.dat", "../TMP/kc_bands.save/wfc56.dat", "../TMP/kc_bands.save/wfc57.dat", "../TMP/kc_bands.save/wfc58.dat", "../TMP/kc_bands.save/wfc59.dat", "../TMP/kc_bands.save/wfc6.dat", "../TMP/kc_bands.save/wfc60.dat", "../TMP/kc_bands.save/wfc61.dat", "../TMP/kc_bands.save/wfc62.dat", "../TMP/kc_bands.save/wfc63.dat", "../TMP/kc_bands.save/wfc64.dat", "../TMP/kc_bands.save/wfc7.dat", "../TMP/kc_bands.save/wfc8.dat", "../TMP/kc_bands.save/wfc9.dat", "../TMP/kc_bands.xml"], "output_files": ["projwfc.pro"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#3(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#3(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#4(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#4(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_tot b/tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/zno.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_pdos/03-projwfc/zno.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..284ea4fc6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf_metadata.json
new file mode 100644
index 000000000..093ad4b9f
--- /dev/null
+++ b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/01-scf/scf_metadata.json
@@ -0,0 +1 @@
+{"input_files": ["../TMP/kc.save/O.upf", "../TMP/kc.save/Zn.upf", "../TMP/kc.save/atomic_proj.xml", "../TMP/kc.save/charge-density.dat", "../TMP/kc.save/data-file-schema.xml", "../TMP/kc.save/wfc1.dat", "../TMP/kc.save/wfc10.dat", "../TMP/kc.save/wfc11.dat", "../TMP/kc.save/wfc12.dat", "../TMP/kc.save/wfc13.dat", "../TMP/kc.save/wfc14.dat", "../TMP/kc.save/wfc15.dat", "../TMP/kc.save/wfc16.dat", "../TMP/kc.save/wfc17.dat", "../TMP/kc.save/wfc18.dat", "../TMP/kc.save/wfc19.dat", "../TMP/kc.save/wfc2.dat", "../TMP/kc.save/wfc20.dat", "../TMP/kc.save/wfc21.dat", "../TMP/kc.save/wfc22.dat", "../TMP/kc.save/wfc23.dat", "../TMP/kc.save/wfc24.dat", "../TMP/kc.save/wfc25.dat", "../TMP/kc.save/wfc26.dat", "../TMP/kc.save/wfc27.dat", "../TMP/kc.save/wfc28.dat", "../TMP/kc.save/wfc29.dat", "../TMP/kc.save/wfc3.dat", "../TMP/kc.save/wfc30.dat", "../TMP/kc.save/wfc31.dat", "../TMP/kc.save/wfc32.dat", "../TMP/kc.save/wfc33.dat", "../TMP/kc.save/wfc34.dat", "../TMP/kc.save/wfc35.dat", "../TMP/kc.save/wfc36.dat", "../TMP/kc.save/wfc37.dat", "../TMP/kc.save/wfc38.dat", "../TMP/kc.save/wfc39.dat", "../TMP/kc.save/wfc4.dat", "../TMP/kc.save/wfc40.dat", "../TMP/kc.save/wfc41.dat", "../TMP/kc.save/wfc42.dat", "../TMP/kc.save/wfc43.dat", "../TMP/kc.save/wfc44.dat", "../TMP/kc.save/wfc45.dat", "../TMP/kc.save/wfc46.dat", "../TMP/kc.save/wfc47.dat", "../TMP/kc.save/wfc48.dat", "../TMP/kc.save/wfc49.dat", "../TMP/kc.save/wfc5.dat", "../TMP/kc.save/wfc50.dat", "../TMP/kc.save/wfc51.dat", "../TMP/kc.save/wfc52.dat", "../TMP/kc.save/wfc53.dat", "../TMP/kc.save/wfc54.dat", "../TMP/kc.save/wfc55.dat", "../TMP/kc.save/wfc56.dat", "../TMP/kc.save/wfc57.dat", "../TMP/kc.save/wfc58.dat", "../TMP/kc.save/wfc59.dat", "../TMP/kc.save/wfc6.dat", "../TMP/kc.save/wfc60.dat", "../TMP/kc.save/wfc61.dat", "../TMP/kc.save/wfc62.dat", "../TMP/kc.save/wfc63.dat", "../TMP/kc.save/wfc64.dat", "../TMP/kc.save/wfc7.dat", "../TMP/kc.save/wfc8.dat", "../TMP/kc.save/wfc9.dat", "../TMP/kc.xml", "../TMP/kc_bands.save/O.upf", "../TMP/kc_bands.save/Zn.upf", "../TMP/kc_bands.save/atomic_proj.xml", "../TMP/kc_bands.save/charge-density.dat", "../TMP/kc_bands.save/data-file-schema.xml", "../TMP/kc_bands.save/wfc1.dat", "../TMP/kc_bands.save/wfc10.dat", "../TMP/kc_bands.save/wfc11.dat", "../TMP/kc_bands.save/wfc12.dat", "../TMP/kc_bands.save/wfc13.dat", "../TMP/kc_bands.save/wfc14.dat", "../TMP/kc_bands.save/wfc15.dat", "../TMP/kc_bands.save/wfc16.dat", "../TMP/kc_bands.save/wfc17.dat", "../TMP/kc_bands.save/wfc18.dat", "../TMP/kc_bands.save/wfc19.dat", "../TMP/kc_bands.save/wfc2.dat", "../TMP/kc_bands.save/wfc20.dat", "../TMP/kc_bands.save/wfc21.dat", "../TMP/kc_bands.save/wfc22.dat", "../TMP/kc_bands.save/wfc23.dat", "../TMP/kc_bands.save/wfc24.dat", "../TMP/kc_bands.save/wfc25.dat", "../TMP/kc_bands.save/wfc26.dat", "../TMP/kc_bands.save/wfc27.dat", "../TMP/kc_bands.save/wfc28.dat", "../TMP/kc_bands.save/wfc29.dat", "../TMP/kc_bands.save/wfc3.dat", "../TMP/kc_bands.save/wfc30.dat", "../TMP/kc_bands.save/wfc31.dat", "../TMP/kc_bands.save/wfc32.dat", "../TMP/kc_bands.save/wfc33.dat", "../TMP/kc_bands.save/wfc34.dat", "../TMP/kc_bands.save/wfc35.dat", "../TMP/kc_bands.save/wfc36.dat", "../TMP/kc_bands.save/wfc37.dat", "../TMP/kc_bands.save/wfc38.dat", "../TMP/kc_bands.save/wfc39.dat", "../TMP/kc_bands.save/wfc4.dat", "../TMP/kc_bands.save/wfc40.dat", "../TMP/kc_bands.save/wfc41.dat", "../TMP/kc_bands.save/wfc42.dat", "../TMP/kc_bands.save/wfc43.dat", "../TMP/kc_bands.save/wfc44.dat", "../TMP/kc_bands.save/wfc45.dat", "../TMP/kc_bands.save/wfc46.dat", "../TMP/kc_bands.save/wfc47.dat", "../TMP/kc_bands.save/wfc48.dat", "../TMP/kc_bands.save/wfc49.dat", "../TMP/kc_bands.save/wfc5.dat", "../TMP/kc_bands.save/wfc50.dat", "../TMP/kc_bands.save/wfc51.dat", "../TMP/kc_bands.save/wfc52.dat", "../TMP/kc_bands.save/wfc53.dat", "../TMP/kc_bands.save/wfc54.dat", "../TMP/kc_bands.save/wfc55.dat", "../TMP/kc_bands.save/wfc56.dat", "../TMP/kc_bands.save/wfc57.dat", "../TMP/kc_bands.save/wfc58.dat", "../TMP/kc_bands.save/wfc59.dat", "../TMP/kc_bands.save/wfc6.dat", "../TMP/kc_bands.save/wfc60.dat", "../TMP/kc_bands.save/wfc61.dat", "../TMP/kc_bands.save/wfc62.dat", "../TMP/kc_bands.save/wfc63.dat", "../TMP/kc_bands.save/wfc64.dat", "../TMP/kc_bands.save/wfc7.dat", "../TMP/kc_bands.save/wfc8.dat", "../TMP/kc_bands.save/wfc9.dat", "../TMP/kc_bands.xml", "pseudopotentials/O.upf", "pseudopotentials/Zn.upf"], "output_files": ["TMP/kc.save/O.upf", "TMP/kc.save/Zn.upf", "TMP/kc.save/charge-density.dat", "TMP/kc.save/data-file-schema.xml", "TMP/kc.save/wfc1.dat", "TMP/kc.save/wfc10.dat", "TMP/kc.save/wfc11.dat", "TMP/kc.save/wfc12.dat", "TMP/kc.save/wfc13.dat", "TMP/kc.save/wfc14.dat", "TMP/kc.save/wfc15.dat", "TMP/kc.save/wfc16.dat", "TMP/kc.save/wfc17.dat", "TMP/kc.save/wfc18.dat", "TMP/kc.save/wfc19.dat", "TMP/kc.save/wfc2.dat", "TMP/kc.save/wfc20.dat", "TMP/kc.save/wfc21.dat", "TMP/kc.save/wfc3.dat", "TMP/kc.save/wfc4.dat", "TMP/kc.save/wfc5.dat", "TMP/kc.save/wfc6.dat", "TMP/kc.save/wfc7.dat", "TMP/kc.save/wfc8.dat", "TMP/kc.save/wfc9.dat", "TMP/kc.xml", "scf.pwo"]}
\ No newline at end of file
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..02dbd9016
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..9f035f5e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..9d751f0f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..85ed9d24d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..73d2f3356
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0e88f6a77
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b7e8a0d8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7acaacfdb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..af9c7a32e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..8d05192ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/05-wannierize-block-3/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c94e49bf8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7bc2e5051
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b3eb24664
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/06-wannierize-block-4/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..a3fa4bdca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..40d7df06a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dfpt/01-koopmans-dfpt/01-wannier/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..1533e94bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/07-wannierize-block-5/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/08-bands/bands.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/08-bands/bands.pkl
new file mode 100644
index 000000000..07a3d4896
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/08-bands/bands.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/08-bands/bands_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/08-bands/bands_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/08-bands/bands_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/08-bands/bands_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/projwfc.pkl b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/projwfc.pkl
new file mode 100644
index 000000000..fc8a9b0d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/projwfc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_3/09-projwfc/projwfc_metadata.json b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/projwfc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/09-projwfc/projwfc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/projwfc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#1(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#3(d)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#2(Zn)_wfc#4(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#3(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#3(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#3(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#3(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#4(O)_wfc#1(s) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#4(O)_wfc#1(s)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#4(O)_wfc#2(p) b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_atm#4(O)_wfc#2(p)
diff --git a/tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_tot b/tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_tot
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_3/dft_bands/03-projwfc/zno.pdos_tot
rename to tests/benchmarks/tutorials/tutorial_3/test_zno_wannierize/09-projwfc/zno.pdos_tot
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 0d5845ee5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 6dc0c9e33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 0aa1560ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index 03fac2416..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 7294541a8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 1402b458b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 5401839fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index fd67585d0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index 1e9a41a2d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 27caa19a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 9552adeb4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 3db939fcd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 9fc1e3b62..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index c8f8d6cb6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 2c003d603..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 95bbfd516..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index eb3295e8c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 226a521f5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index abfc9249e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 0bcd66aad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 1eaf7eccd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 5d181cab6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 21847954a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index 19f7354c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index eb49300c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index dfacf50e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 01c3e76f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index a4ca7da11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index d229b4d54..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index e3615e043..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index aa202bcbb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 4730fdd40..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 6c93b36ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index b46a38fa2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index e43f8632a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index c3ce9d0e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 13d87e0e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 7df3bdb4a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index 4971b185a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index bc1c1cf41..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 23f12c29c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index c429a7ed2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index 86f72f28c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index 45ce7ce05..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 9b8ace353..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl
deleted file mode 100644
index 590940464..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
deleted file mode 100644
index 9dd341893..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
deleted file mode 100644
index cb6359f4a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl
deleted file mode 100644
index dcfea4151..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 825451ece..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 00a583506..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 82c44d49c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 1bb9cf166..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 335731a02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 41a9c761b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 948c4e309..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 61ee0e380..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 8661e0f98..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 4d51e602f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 16ef92b4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 185d5ddc6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 59deead8b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 287a4326d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index daac9c51b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
deleted file mode 100644
index 4e17bdb20..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_4/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..757f67489
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..8aca2177a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..ceab1848d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..fc9fc54a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/01-dftcp-nrb-666/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..de0d00f75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..168413f5e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..1ab9518d7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..d5d257c04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/02-dftcp-nrb-888/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..b32b57923
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..59ee93382
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..4b9aaf231
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..a94b03f0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/03-dftcp-nrb-101010/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..e31bb1f67
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..abf5ec9d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..b56e36963
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..8f39d9045
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/04-dftcp-nrb-121212/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..447150b7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..aceda3e8a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..9c24561a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..d26fceea4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/05-dftcp-nrb-141414/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..10a5c9199
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..ede4037b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..99850f6da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..d50acf1a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/06-dftcp-nrb-161616/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..65df1be58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..416ed2937
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..2a37bc67a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..e8a0ba025
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/07-dftcp-nrb-181818/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..1c3b48973
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..561bf3e50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..eb8967be3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..967b7d2f7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/08-dftcp-nrb-202020/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..28cdf8822
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..c89aaff0f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..e91a3c2d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..bdf071718
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/09-dftcp-nrb-222222/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl
new file mode 100644
index 000000000..89f0e157d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/01-dft_nspin1/dft_nspin1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl
new file mode 100644
index 000000000..48d4891f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/02-dft_nspin2_dummy/dft_nspin2_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl
new file mode 100644
index 000000000..a1d62fe50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/03-convert_files_from_spin1to2/convert_files_from_spin1to2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl
new file mode 100644
index 000000000..67e1e6d30
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_custom_convergence/10-dftcp-nrb-242424/04-dft_nspin2/dft_nspin2_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..e3e3b8ab7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/01-singlepoint-ecutwfc-20_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..1ab457799
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/02-singlepoint-ecutwfc-20_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..477f58ded
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/03-singlepoint-ecutwfc-20_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..2d396ff1f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/04-singlepoint-ecutwfc-30_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..15aba071b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/05-singlepoint-ecutwfc-30_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..f0e2ce1ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/06-singlepoint-ecutwfc-30_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..cdcdfa10f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/07-singlepoint-ecutwfc-40_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..ad49d30f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/08-singlepoint-ecutwfc-40_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..5cfb8c38d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/09-singlepoint-ecutwfc-40_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..28f83463c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/10-singlepoint-ecutwfc-20_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..480de0284
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/11-singlepoint-ecutwfc-30_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..c664699b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/12-singlepoint-ecutwfc-40_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..edbc3d20c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/13-singlepoint-ecutwfc-50_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..8fd44c515
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/14-singlepoint-ecutwfc-50_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..41ced40ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/15-singlepoint-ecutwfc-50_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..d08dd51c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/16-singlepoint-ecutwfc-50_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..3bdc670da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/17-singlepoint-ecutwfc-20_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..099b1a155
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/18-singlepoint-ecutwfc-30_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..812e0f26d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/19-singlepoint-ecutwfc-40_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..4083489fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/20-singlepoint-ecutwfc-50_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..47890ef36
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/21-singlepoint-ecutwfc-60_0-celldm1-11_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..0470731a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/22-singlepoint-ecutwfc-60_0-celldm1-12_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..306a279e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/23-singlepoint-ecutwfc-60_0-celldm1-13_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..238440012
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/24-singlepoint-ecutwfc-60_0-celldm1-14_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_4/test_run/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl b/tests/benchmarks/tutorials/tutorial_4/test_run/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl
new file mode 100644
index 000000000..22b5ac157
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_4/test_run/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_4/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json b/tests/benchmarks/tutorials/tutorial_4/test_run/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_4/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
rename to tests/benchmarks/tutorials/tutorial_4/test_run/25-singlepoint-ecutwfc-60_0-celldm1-15_3/01-dftcp/01-dft/dft_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 91f83158f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index babd2a1b2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index d08cc423a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5f2fefe3c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 5f574a734..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 00bb210ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 229d1ff50..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index c1bcfe778..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 075794775..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 19c713f23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 1ef610734..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index bc3e1f4df..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 38b3fe733..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index e8b0b8570..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 2ff7318b7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 10feb13a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 056b5c0a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index b24847171..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f45f5eadd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index ec5a76f17..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 6b4cdffd3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index d8641ebbb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 33aad487c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index b2cc9d2e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 201764855..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index cde34518f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index e297fc99d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2992852d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f780968f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a910275a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 104eedb9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6267d54cc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 68fdf2de9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 583f729eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index aa5290d19..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index e91a47970..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index b9dafff37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
deleted file mode 100644
index 70fb75f39..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index c6bdfd0ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 53cfc3c23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index b70c6f162..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c9ec771ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6cf19ec33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 581f68812..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 97b6e63ee..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index fa2ac919c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 24bf2fb86..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index b328f7374..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 201f3af32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index e8969abd5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a5129dd1e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 8e2e96847..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index c9c283c09..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index bd9675e15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 2b9308309..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 1e79772fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 2edd5a900..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index a18024f4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index c7bed9040..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 33e46abf5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 532df893a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 068da8846..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 2fdc72ff2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index d3b19fb9d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 801913a29..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ab5446e3f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 32f8d89ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index df596cf93..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b86ea0292..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index e838696e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index fc1c6d0cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 15318b986..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 5bac4d9ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 4883bd601..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 2d2da2723..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
deleted file mode 100644
index 5452af6bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 300e61bfe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 2402f2bac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 97e7bb658..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index acc605dd3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9a27ca07a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4c7fc6da8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 40a63dfb0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 206e5d1dd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 0accb1ec7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 39992309d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 70ecf545b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index c7e54c877..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2b5ab1a4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 27ef46b8a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 94e3d4485..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 56c18efec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 322ce9f1e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 9826c9ca8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 8c3c9655e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 35005c01a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 08486b87f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 0aa12e10c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 31de36974..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 9a592d8f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index ae45d7a31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index a66b1e12e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 5fccf89a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2d1b48d86..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index aef6b48b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index aab4e23aa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7de533589..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 7353dcfae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8b1c06c1d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 2874b81e3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 2143ce868..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 5b6a32b4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 708fbe261..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
deleted file mode 100644
index 09f45f69c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 01860046d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index e93edff83..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c22d2cd63..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a8254a645..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 82978536c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 95cf5de6f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index cb77a08b6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 92ab83f2a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 34ce3cb77..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 688030661..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 075e0faa9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index cb818e39b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 88c7f5511..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 573369ec7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 3763606d9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index d2b13bd2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index ad0e952f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index addabdc73..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 2a1157942..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 467c4f71b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 7fa922933..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 7e5cee763..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index a8cc21365..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 4c731bb6b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index d9f440fcb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 14f345c4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index a18b38cec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 85ed57ff0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2ad015364..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 69c5280a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 131cb6b94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index ddae61ca9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 9784f501d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 3e5b0f73e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index e857b30cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 3f3f35917..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 120c7d6ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
deleted file mode 100644
index f319f9a3e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 3e94f74db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 637634a48..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2350d5651..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0bf7500b7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 0afb725fa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1945c59a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a22a91530..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7d9844b2c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 4ea079d81..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 829d1fda3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index e7b52ab9e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index d2841bdd3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f145e17c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 39bb8d009..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 19f1e74f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 591875bdb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 93d132b07..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index ebdc49b57..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f5d38ada2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index a32f0c553..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 9d1823906..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 2e50523cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 5f4c7e54f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index e5c36ebfb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 2eb53ad6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 82e042fea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 979c2078c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ee598e6c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 175ac1354..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e0fe31fb8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 16ce72985..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index f0b64ec61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 05df5b29f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 878046c3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index c7a3121c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index ce2f3c6b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index c207b6f6d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
deleted file mode 100644
index a1c5ce6b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 3b2ccdb46..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 0ef67e912..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index acf062518..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2d3853124..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index d634c87f4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ac76fc6f7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index cd3580b18..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index fdd8ec8a2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 3171649c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 676465975..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9b1c55b5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 7357ae168..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index aa0ed4ee6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 73a2861af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index fbac9b87e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 63730695d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index b65c16732..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 4052131ab..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 3a7dfec7b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index cf6875e19..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 5518790ea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 8ec59b5e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 45d82c3ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 9319fab37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 47e318478..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 9b51c01fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 1e00665dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index be6260d4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index eb69165ac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 726e85e8f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index d01f83847..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 38666f0a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index ca934b984..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 7f902a020..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 65f9bdaa2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index ed1755b94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 97a757393..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index fba36af27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9eb653020..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 08539a329..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 21ecd64c8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 4e46b0859..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 6f28e11bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 8943507e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 7d59346a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index ce226b67a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 813ca603c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index f8b86e071..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index d79ef5b5a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index db8544bf0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index a9f78c555..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 92d937af8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 0097375ab..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 231264314..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index d7477bd95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 712b7fa35..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index c12a393a0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index a3ef75047..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 47891ed2c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index da11704f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 4e8ce68d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index cfd0b7f89..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f0c328990..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index f89ab8dd9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 0c83f6751..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index ce39f9828..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 27eb8ea5e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index b480ac67a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 22f07b2b4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 41cdf76ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 59cbee317..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index fdcdee883..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 2df01d63f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 4cefa67fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 20e15f442..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 3a86daf2e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 1d04d433d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index d793eb4a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index f7bcbf8a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 87ed75c1f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 50666d4e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 0874bf5a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 0baf1ec32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 370feaa4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 40fae2f9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index af237d8a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index b3439e006..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f1d44e3fb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 0cb6a50db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1639a5486..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index eadcbee5e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index e8b6b3587..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 78f48422d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index f8596d63d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 81508cf5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 25b797af5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 1e2fd59ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 44b70ba76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 9f168964c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 40a577bd9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 28eddcc74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index f9340f2e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index a57274870..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 445688392..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index de1cca33a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 439c47f5a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index e6b800ccc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index eb0c0aa37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 8724335c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 992c6d919..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 454dc227d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 94c53cffb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index cfb60c46c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 98ccbea51..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index e4cb3e52c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d89cd8d5e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index e065d5285..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 56b660f2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d1096b19c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 60f94bf0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 223c1b81b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 0276b1e89..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 94c9aae11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index cda4566e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 957d9f0ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 74df978c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 38c0a3918..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 7f7fd12a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index da5cbd219..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 478e8ff19..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 02e13bec6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 8cfa1d5ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 64ea670c8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index c8a878644..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 2dea1dd5a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index bc8d61eb1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index b4c1b60fb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 1fe961a37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 24d0fdc2c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 7fa5baabc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index d0a84d59a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 7c63faf68..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 94c339057..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index b18a02099..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 91eb39e1a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9d5b6f598..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d0128b38e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index d6e70171a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 4dbbc0ef5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index e157a3db2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 25ed80f63..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 3a9254f75..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index c2afa4ff1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index ed5f0eca9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 7b4393261..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index cdeed5e13..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 442d36caa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 94fdcc461..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 0e5e95ba6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index de17611ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index d46e21159..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 11ad5b9db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index f09d23f49..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 68c6fb756..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 18f9e5ef6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 2a0346294..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index ab91f8746..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ea584f5cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 5a768c56d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 7b367f283..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 148a4a3e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 00d91fbd3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index f26068ab4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index f3c361149..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a9c25ab16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 0412e3dc2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 226d1f1f7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index cf78e6d8e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 58aec8e9b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index f782bc443..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index e3e71a615..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 5961e9abd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 8ae4939e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 8ce28e5a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 4eeca1a9f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 8bd3b8ae3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 61ffd06e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 7a9102e52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 3bca6535b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 44c15c2d7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index e946bda69..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index e057224ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 32ca67042..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 83e58cf3e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 010e61e54..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 0d0798f9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 3e2fe1b52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 576397495..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4a317d7c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index ffb34f511..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 2b0055d89..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index db8f525c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a8784f417..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 16a3402f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index f10907353..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index db3bc2279..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index bff7e713b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 64f752225..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index de1919567..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 8fdd0f5e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 190631d3e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 7c66506fa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index ca098f590..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 5136139c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index c506d6d0e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 039579bb2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 0236b37fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 2e308ad61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index e7b88f83c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 2c92975f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index efd5a3c4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 3be1b7e65..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 9236befc5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index e610fc4d0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 10d4fe1c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index acde70336..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ab5037f6b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index e4bcccca9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 1235f2053..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3a85471eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index e4765a501..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 79d103301..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 0f16eba00..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index c14b4a7a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 1c648626a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 5bc29e68f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f85ab7b97..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index a3171221a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 3c66ed81b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 2944a133c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index a2618e8bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 17c4569f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 0254566f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 339e026ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 41d25cbf0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a4df0c0bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index d606c129f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 3b0edcbfd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 2dabe498e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index c1b850795..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fee0b1b91..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 0f8d31a31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index c8bcf7b6d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index b95ef39e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 368359365..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5b470470c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 2567f6a5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index b008dff70..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 54be5e2ee..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 69b12b619..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index ee642988a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 2c1e3b12b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 7d50e95cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 9eadc9820..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 4bd9b4c9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 99da3a4ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 447afca01..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 358a02d4f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index f96fe693e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 8089577dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f621317c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 71f2c8401..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 5c7d99bf3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index f28142df8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index e718fe48f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 8db8c3acf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 040e20a58..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index f98df8b94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index c55a46a3c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c6b8dd3ca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 835852e9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 880849b16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 7753618bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 503b10f60..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7e2bc0887..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 0a481847a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 3de86db3f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index f0e938154..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 630779110..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 4cc8ddafe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 5db15352e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 62a4be093..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index bb42cc868..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index a0ebe12e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4132009b6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 5efce0191..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index e25166416..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 3cf1efd7b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f53e90760..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 10e122f31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index d304ab6d5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 159d3a05b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 664d1a074..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index a5b887322..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index f849ca5c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index edd8428b4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index e587ce161..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index b7ca8c895..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index ab0e1927f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 3139fc4e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9d72b8bbe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 190560acf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 61067b414..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 6673c0eab..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 8ddbd474c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6577ef804..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 6795a0759..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index c64c714f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 4216ccc67..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 560282c11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2b4c58bd0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index bf7284461..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4badf3ef7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 81ad05973..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 88e7dd981..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 5827b207c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index d1939b377..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 4fec1d5d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 6df7499e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 788340036..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 64c4610a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 73baf8a4a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index a08bc2138..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index ea673cf05..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index ba9f2889c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index db9260e91..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 5e8bfcde4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 318725ba3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 18e6e1019..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 681f37ec4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7163e50e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 46928e533..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 04ff9b847..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 2e97a900b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 8e519599f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 4ef6feafa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 831f89d03..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 1a0132c80..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0a4990959..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 27db78bae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 7fc93b6f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index fcf425f87..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 16abff8a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index f81ccce0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index ee956e14f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index baf07cc44..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index e5b39d49e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 0a1ede379..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index d97c8d0f7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index efc06f8b7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index d0153eee8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 3ac769b81..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 63396d773..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 017f9908c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index cd1b8547a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index ed4e546ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index fce0b9238..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 975866fdf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 172ad7803..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 68e65a20f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5b69f19ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 23d9c9f51..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 967dbdf7a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 3fff5df27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 2c1528388..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 36272dcf6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 95573c084..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 7053ed17f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 149324344..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 5d735ff5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 653fe8216..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 0587bb442..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 5ae0aadbc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 2cb4e1db5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 382bb2fa6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a610b2fa7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 8445c48e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 5d42b85cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 83e855c92..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index eb8aa80f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index cd7797b07..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1504f019d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 0e37b788e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 42a1d110d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 6823a5c90..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 01ba6099f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 33536dcf9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3ba1509d0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d01613f2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index d5579f1cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index e5975be8f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8deb29a83..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index af028b836..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index ce142b5b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 39959f468..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 0996021b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index a9c4b7dbb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index dbec75542..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index d446c56bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 6f00c5c69..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 4bcb39822..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 546aba529..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 681a9acae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 443c2ed54..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 951c59f9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 79bdcd96d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 232cdde94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 4bc39d534..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 77db898af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 34628fabe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index c63746f0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 31fbf0fbf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9f0701e0a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 3cb6d2db5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 26c47bdcc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 747c522fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index edd7a4276..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7b875fbdb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 81f7d2b06..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 6136a5cde..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9915fff2c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index b1fcc69f4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 90ae3641a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 231b4a9e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index ac351f1d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 5de9bb163..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 08635075b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index e9cc8b503..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index ec3174152..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index c5e4061c9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index b4d8c3016..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 46c408677..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 0960a40c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index d145757e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index a8cdc030e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index f092f8ddd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 8731db7d9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b2eb7dc90..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 98371f40d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 8be1f38e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 04cf9fef0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 089954edd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 4c4ad1d46..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 7104e75ea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 28d4c5dd5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index a152835cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index b4a4e35ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1127d914e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 111b37f73..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 064fded52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 361e3c488..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c8edf3f88..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 1e8908254..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8d35e48af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 97e41138f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 624b4b025..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index c06da697a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index ac51220f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 97b9d3955..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 40bf9465e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 0145c9e5e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index abb8abd80..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 6ccfc077f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 960ae8827..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 36664a951..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 06fda3f7d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 198d3912b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index a02221406..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 18d883ee7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index a2291479a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index fe4eede65..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index d2c65d1f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 935d779dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 3dabcb03b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 6d6e2194b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 5f5bdbd6f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0193b0b94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index bac5921b6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e83a5fe90..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5b399d8a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index c61eb6071..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index ae0b5522b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index b75d96660..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 320d4c030..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index f422b4ad6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index f2ca0927a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 83c6ade74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 51ee5be06..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 123b2b283..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 7403dc1a9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index bbf699566..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index cd713ccb7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7ba5b44af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8586cca3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 653004dec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 571ca43d4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 7cf31ae37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 81aea8626..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index c40530f3a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index b69185191..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8446e7fcd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 30a0ec4f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index be14928a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 2547fe243..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 9ade702f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 2db703081..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 750731b29..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 1ade99097..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 01cdd0caa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a21316f55..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index ff523014e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index a8d082719..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 48dfae431..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 91d11663f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 6e3d7d471..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 404f471c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index bbce1c633..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 079ae11fa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9411b8b11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index dfa0dc063..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 4e67274b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index c794aeec2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 56a281130..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index c752fba4a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a30af4150..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 8ee9f301f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 9fa37d68d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 7487138c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 10146efc4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9e8e320d7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d96119623..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 7853cd18b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index e675d4f01..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7937278cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 850e69176..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 94c66da7e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 9a4c5bc0a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 5e874e4d5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index af26a4cb7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 4d8f72a79..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index b1ec7a920..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 889e453e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index cdf96bef7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index ad916a214..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index eb92d0b37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 03eb2a29f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index adc51d9a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 7572feb28..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index bd5db22c9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 86a5c00aa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 88937f547..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index e4f4f203c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 4e7d410c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 5cfca2970..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9b9bb3a04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 93f141785..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7436a1266..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 53a697089..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 8b5556e8c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index c4f844d23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 1bd209361..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 3a50f27db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index de3ffe18a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a52082e36..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 5503f8015..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 01e707d23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 2307c6386..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index b35977c27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index aabf4b893..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 3b9ce4858..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 3a8890778..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index df24dd4b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f98b2c11c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 4853bdb4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index e9f3b9cd7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 2d22ee040..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index ba957756d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 7cfecc0e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index df617d8e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 7e7549fd1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index dc7a76469..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index b97962540..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 63f5fbef3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 713b95e7b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index fbf7be1f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 36451dfef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index f7972485e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 1d442b796..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 705a20244..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 87924b836..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 840100885..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 686f7c6c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 17cf60127..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 3237e7a2a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f21b5dc6c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 8f7085c76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f7b6d03cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 42f391776..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 481f35921..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 585223e95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 520ab4ee5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index d3e76ad32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ad5c1b12a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index b59b2294e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 39eeb031f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index cb5e75a5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 0b66d7049..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ce2ee1a01..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5afe7deeb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index d071984b1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 0f6a5c9f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index aa0d1314f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index c9b02f019..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 5f9007d0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 3864c3554..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index ba170970c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index f935b19b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ca62cf26c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 3e8c5c161..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 763eafda0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index e6f3a9145..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 80646f2a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index bfccb2079..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index ef5456d33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index a2d4df16c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 31c027586..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 7e2a154d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index d13190cd0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index fae626fdc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 03641df8d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 260df8ae9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 512c461f7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 12c813a87..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 4677669b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 6db782899..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 01b083e3f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 2e8cbba82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 5704c94d0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 90413942e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 07e6b8016..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 60bf91a47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 8458f3cda..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 37bcb1ec7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index a9b9192c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 1a581aefb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 311730c41..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 6652eee16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index b600a4e7f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a388da5a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3d307ab54..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 9661a22da..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index b42f0d7c0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index a972c44ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8ab7420f0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 14e08a13b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 77dfdfcfc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d38c6d657..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index be0c78818..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 8fae72930..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 076369cf1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 8aa18e824..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 52bd804b9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 682193136..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 8bd42ccc4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index f06e892f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 10142a3bb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 6266e2e4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 09984ca2a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 9604115eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 27f3dcd20..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index bc23b19f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 26c3d4486..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0050f70af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 897360698..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index db6348cd1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6d96f093f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 9dd233459..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 9a01598dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 2e458f843..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 823e0f74e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index cc0784dba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 9113fbadd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 199c8c6b9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index e29e712cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 4f913fbdc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 373dae8c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0f32babf9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index de08192d1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ae3967229..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 73f2d6c29..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index f023a940c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 053bdc674..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index d40b7625e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index b8c96e15b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 04110a8e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index fd459d22a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 6799d4d6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index a5a052f87..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index ac97e7e4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 1bea3fc39..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index d8a3e84f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 26c74d8f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 55cacd9d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index a98850e0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a7228d431..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 041585a68..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 892aa8aac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 6f80a7b7a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index e69aa0fcc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index f57f84204..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 32d5a794b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c3642d84c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index aea16ef16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 821529419..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 8c4ea2bea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 28542bfcd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 234e2738a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index f97600805..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index ba4cd451c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 7e34c168b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 45789b3e0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 91a56b578..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index f330c88c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index a2dcfcd75..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9c13f9f15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5c1e78d16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 28c983b93..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 45bc25e19..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0c2d0cdb7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8d4a994d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index d4a7739de..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 7a663f2ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 76a54d63b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 013358b80..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 9c41ee124..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 346471373..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4c7ef0748..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 98639d959..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 621da4822..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 9facf0a98..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f0d13e2fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index f189de56f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index e623a5b04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 36e771e3d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index a7f65c039..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 323d83ed4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index eb1e0b898..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index cace76563..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index c6a266a4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0569224c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e8d152ea3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a35135592..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7b253dca1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index a5a809f5f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 4c77435c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 08d453788..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 23d719204..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 39d32a8f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a95a55d49..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1aaee0b84..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index c76232173..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 8ade1b8c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index ea7b91882..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c027f09af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f19176856..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 5ffaf652f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 085c6238d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5aedc1798..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 24b6b76da..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 45d30034a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index cb4327e95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index a875bccc9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index d9d803b62..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8ec04b0ca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 126f7e122..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4d6a6cb2f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index d44816b84..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 1a89391eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index ad98c1510..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 88e10377a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 046e40bfd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 8a61430b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index f392c2408..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index c4a985613..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 40ce6b628..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 6c2a43469..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 5b917c91d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 9225db496..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index fbc3ec681..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 3e746008a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e8bc91cda..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 242050f8d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 9cb69cc77..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8b3bfa490..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ad946ec47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6bedd76a9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index a224de47f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a6aa65cbd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a49a8d6bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 685c31e56..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 97fd9d815..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index c63c5dd99..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 88bb12505..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 52b27546d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 243d344cc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 017039e0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 74425df7f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 5cba1ee12..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index de814526b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 73bca1913..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index cfbd26974..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 761caac27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 3a6b34664..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 21e16bcf7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index d38175296..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 9edb01d74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index e294998de..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index f651b208a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 17213575a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 0e29c7336..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index c02d1bef8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 7c8712d14..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 8c1e19d02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 023629a47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index e10860b88..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 7dd273086..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index b970b6b04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 64ed98442..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9fa428d2e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f6dff51e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c474f1adf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 223a34a2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8e0988ef6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index cd93156c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 960e6c363..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 9d0e7a1b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 3ada855c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c516cf3b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 5f7587635..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 13432012f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index f81d253ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index aff61772f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 54a69047f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a7f504204..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index a59a3a222..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0600376af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 369e7eec8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 31d42f83b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index b5d994938..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 1ecb2b807..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index f6ff281fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 50ddeef5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index ed0d3519b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4b9325058..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index c85f3e3dd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 7a9fec6fc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 9b6cb0d19..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 7a228b3f5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 6d29e81ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index bddce2b86..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a2d2a6451..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 03ca69100..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index a53065a31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index c369333ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index a8207f4ca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fdc5e5e27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f036cdfe5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9f7d5f200..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 299bf30de..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c2216a6eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index efd2d3e38..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index d058e1ab8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 2233c6468..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 268a6d376..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 3b7dda065..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index fc3f9c909..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 0e02a8b52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 520d2bae4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 70470d649..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 83e817475..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2fcf744a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 4e5caf558..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a1ed33249..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index f72c2a71b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 1f73e1284..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 1715979a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 51c1f2b7f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index e8213b0a2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 19dc42895..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index fcf12ebac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 66709a36d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 538391c7d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 54c250822..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index fbc93a259..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index f2b7c5f47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 5e24949d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 63c01df3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 8ceaff339..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 2e4f27dfc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 6e81dbcd3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 9abeabe7d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 5a9f88c64..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index fb39a44a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 6aa506ffd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index b15f67ea8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ad5798934..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 538ae8e2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ed1de2a7c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e8c58aad5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index d8b78b3c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 7bf55c668..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 293d7c9e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 7f401c1cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 3f8e9f69b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 3fe4b786e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index fb4ea8a40..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 8a119341a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 66e7e2662..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index af7ee6eea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 75ca83d64..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 33f300f88..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index f88094ac8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4ea44cf68..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d4fb20b63..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index f587b1a90..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index f20e138d4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 417a8ba12..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index a12e375ac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 7ee70ab82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0281d0eac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 303b9fd75..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 2dcd8253d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index ffb2cb5b9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index bf476a8da..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 619289e25..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 6dbd33293..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index bb6833bfd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 0036fa189..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 8e8a4dbea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 34c630a68..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index fd21f83f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 257af7f65..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 0fc458d58..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 76c0e2b2f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0d5d2e1a2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 982de86bb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ba1e0210e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a34772b7b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 26cee94cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 524491b95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ec24ef5a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index f0e6e4564..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 317f0393e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ee81be93d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 3ad9dc187..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index 240aa7f00..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 7c22e41d9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 9303e914c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4abdaaa9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 6a8e3cfcd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index dd6a9a267..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9bfd771cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2fc74a7a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 0203bbe11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 1991b8a52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 06f23ce24..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 664bc0790..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 4c7c880bf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 84f272f67..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 641013a72..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 3be924ba9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index f389d3596..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 818ae0d18..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 72126dba6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index dad084b58..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 872c61c5a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 77c209fe3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 8b46bc640..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 7fd172682..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 45e664d25..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 2ff7ad9ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 1f725daf0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fe9b910a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ed672e380..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b5bec6e79..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 542bd8d61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 588d778fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index db95cfd99..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 27ed2ae2d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index e5fa8c725..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 058feb8ac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 1a1f33cfa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index d64f90c6e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 64d7e3aa1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl
deleted file mode 100644
index dfd24ea48..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index d7965c6b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index bf8a94a15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9db0bdf7f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 686b31e10..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index ed1c0ca96..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index e0369f4a9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 103d9d6e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6837d2956..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 5a3a7b76c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index fe8163da6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 2f116fa13..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 5a289def4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f6e780cf6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index d967a94f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 0b85101ca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 3e2af4a11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index f3fa4317c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 0e42fb0cc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 588b16497..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 9bc6d136c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 95736ea8f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index f571ecfb0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 156defe12..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index cf6287463..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 912026d0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index cbf0a0a2d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fa9fe591a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 4ffe77fcc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 1f96f36fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9d370bb24..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0914fa7d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 789b2bab3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 861a1409b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 4de2a8ef3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 1e2c8f799..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 782365b00..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 9747f22f4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index db3ebe045..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index f4ca70076..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 966977f69..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1c331e860..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2d7863168..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a05b1438e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 338d6ea56..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f6bde86b4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index d533427e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 3012c5529..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index e685e9ce1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index d597e2dfd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 58172bd94..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 32e21348f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index cec8b3b39..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 1637b0553..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 430289e3c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 8a2cb96d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index e4b208dda..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 20ea5910f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index b588aea5a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 89279a846..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index bb052e92a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 941291027..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index f8683e263..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 87da7f709..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 1d1c5b91b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 2c4f6088d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b1467eec5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 22083f922..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f9166e465..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 21dc7fa33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 9578d65cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index a12cf4eac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 087a9ebe7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index b8d13d7e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 114e96b33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index bad8eb692..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index df54a6af1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index be8094ab3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 0f7b3913a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4a2c6117b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2f7a3fc6d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 125eaf8ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index dfb615173..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 453dcc7e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index eecf8b4c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 12ad0e874..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 599a599e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index e553f9768..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 55cd96d9e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index bac1d51e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 8c904df6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 2d482c148..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 5d41bc482..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 6a93aaafb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index c71fc2a56..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index f45e58565..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 9870b709e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 02ed240ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index d4c36d0d5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 5b64fc992..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index b0bc08450..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index ecbc35e1c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 35468a59a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 0233179d9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2400a05d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ad37cbf9e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 1eb29fb29..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 99e851114..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index c890e80f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index c03526250..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a00493bde..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 7f629186f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8ecf7f244..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index c94a4f9fa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 3ea00c860..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index cbcd535ee..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 9f5d35bcf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 6ab85159b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 38b48abf1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9c30a0d4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4b1471f76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7ad52b8b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 306dff973..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 001a01749..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 0caa3733d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index df2544dd4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 267158792..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 665a6e00e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index b0ac5ccf6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index d763034e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index bb360c324..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 71282593c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 141428850..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 3b21ca780..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index a6c6f4308..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index b1941966e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 94dae46c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index debb8eff3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index ac7f5c0e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 34081bc97..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index c0086eb84..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 2c63b970c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e4aaf7700..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5812609eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 4836aadaf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9b299b1e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 3cdeeb3e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 3ea70ffac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 4c5cf7079..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 5dd476f25..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 102796cb2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index b79af7747..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 534476ce2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index f0db771d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index edce9e85d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 674d5c812..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a6444e412..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 65aaa5638..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1a1131130..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 1eed63238..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index e5f752caa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 51f613218..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 3d23e4a95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index e9564ab33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 302ee5fd6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 29b7cb877..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 8796c7d1c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 6788a4ade..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index ee2757954..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index e6f31ef9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index ba9c83d70..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index fe429427c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 2c579a69d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 79faf6b9d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 67b5c9fd7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 0713321c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 3ff630ba8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index d090cd5d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 1e175ae95..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 3e354c0a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 3c78fdb1a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0a054c772..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a69fa7502..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 70d79759c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 09be89a67..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index b45ffc5f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index b8b281515..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index d5bfc2768..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 03ed5e934..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 45c7cdaf7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index f79458b65..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index e37034730..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 6d50f5d1f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8f244cb00..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 8daa5c8eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9281df4c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8ca58ea1b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7a6a2df6d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 619f466b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 7f08d9d0a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 2a8db94b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9b5cec388..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 6fef06f2d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d7b679307..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index d66e0c963..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 48d35e8eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index dcb42fb98..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index d20750da6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index b20513105..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 64b7a66be..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index e4af504d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 5cd42e3c4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 9ea373324..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index fa15de12c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index f0ce09af3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 5a6e3f669..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 014c6668a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 272463b15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f746536cc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 770e2f7f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5b615dfbc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 38198a90d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 198699a45..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index a7da14c4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index c3c07a7b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 0b6b8f61e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 18b6cde0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a62788a2b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index e0f20576f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 7ecf36dd2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 8f3d55281..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2df4bec46..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 1c19b1019..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index da6cc16f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c8acb1fc3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index fd0f1ac27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8f00acc6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index bd56b2d74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 12fe66442..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 66b26e593..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index fc73c276a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d96d13b90..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index b6c196bcb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index f86355eff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index d1766ab52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index b07b100f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 8a25ff843..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index d7f3a4b13..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index f5c82d69b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index a97ef6693..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index d8bcfb511..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index b32aef328..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 2a1c8cbfb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index b84277188..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index bde1dcd28..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 0a348ae6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 987356d32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index e35548057..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 73e21fca7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 3da0325b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 8ce9dfaf7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 647f6465a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 0e05e957c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index d3b2d3a4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 9b2fd3063..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index cb64c6c82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index a0359c149..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 0be389e7a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 3b015308a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8043bc6d5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 6890beb72..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 015ee5d8f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 29a1158ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 276a397f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9b1a4feb3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 6014f3f82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index bda825391..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index a98611bdc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 289157d44..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f6702c295..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 42829f2f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 6389e5cc8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 4c7a86c67..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index eda4fe42d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index f2f302338..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 5eb80e140..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index b28ce82d1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index d39033dcb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 645f50cab..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index a305152c9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index ebb4ff2e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 6095ca8ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 23e4584b2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 123fa0c79..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a871d0047..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2ba5dad41..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index a1b343738..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 57d8a7c4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 19d5240e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 770d83735..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ea67a10b6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index ac4131911..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index e950e3b12..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 31a3b01c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 44a54379d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index d3eb00fac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index d543953b4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 68536afc4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index ad1c2c50f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index c42dfd4aa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ed9a2b82d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f2b1929b2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 59c255918..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 746cb0386..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 9d1e9a4dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 101180879..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index b7e622906..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index dc1350576..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index dad97c858..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index c012e8a1b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index e5ecf6ded..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 296d4ac1e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index cdc56b7a9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index e73d5ea18..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 6404bf1d5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 378cc5f06..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 28268f312..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 702bac6e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index a7a6af765..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 9b15b8463..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 5ec5eac99..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index d6f5bf910..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ca42c1ecc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 83bb2c999..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0b0b094b0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b5c47c39b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 5d8b8ec9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 4a56b62b7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 4a1a87ffc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index ceacb2bf6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index dfb9206f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 1df110b7e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 39c2e798b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 4fd5a3b08..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index c5e59bf33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index a29b9625b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 56eb667a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8a6acf4ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 373be5a87..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 0229fa8ac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 470bd60a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index f33c9abf9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 88e908c4a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 6d19494a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 854324864..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 73a1be214..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 81e330901..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 53aee80ea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index fb03cda45..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 69a0dc749..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index d3967e5a0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 5ad44486f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 4976000cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index a57ada700..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index e3187868a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 7d365682e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 474ad8fbe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 858f9e13d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 56d833640..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 0c0d5a806..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index d3368a2ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 996ea9286..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f7c82ea26..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 84b356ab7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 5e6233b52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index b6816931d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index be0c6ac50..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 77b0b76d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 010c2c539..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index bb3adf949..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 004715528..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index dea670bf0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 8d0f586d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 323d4ac52..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 4c216b733..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6f4e49d26..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index df570674a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5913bfd92..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index ac476bc85..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 1ecf54024..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8d1b22a5d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 16b36d8b6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 474c1cd10..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 5d1a2a7f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index d34a92605..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 4231c621b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 9118474d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index c157a0c02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index ad0e0b6ff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 7953129a8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 9edaf47c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index d72ff4a04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 22cc1e99e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 9910a8b82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index c581bcdbf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index d8d509c71..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index db987980b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index b16c3d70c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 3fc66b69a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 1747f5af6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 94c8ede73..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 48df9d4a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 33a1cadc0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 71f76c40d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 9cb5a3e7d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index f322cb111..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 728f2411c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index e5432dbde..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index bc14f133c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 8e12d99ac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index a11d63f71..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3be44f677..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c9cc27090..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 605f7ca80..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index be017eba5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index b57d4573b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 927ad7331..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 436295318..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index b664bf04b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index c144c2175..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 600d941e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b7c3fadec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index d03e5a31e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index dedf93eb8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 9032c3c26..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 848285929..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index e21e6fd4f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 6fc3ab1dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index ab99b0114..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 8da957f57..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 1fa9e575b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 651be3821..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 346d96b2f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 2ee2ba80a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index eca9b29b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 9581d5652..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ae4d1d2b7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c553e4489..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ff7e0a85c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 87a69fc97..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index b047ba857..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index a4deba135..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index d97c49926..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 8eae196d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 45a9ea05b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 047a18ad7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 3a2befea6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 5d0131b1d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 6663f9b0c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index b39666615..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 018c7d06c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index e95fc5164..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3690265f7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 67fed8c0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index b7a5b61d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 0683b6d31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index a9d27a161..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 37b953d7c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 3af511563..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index af560806d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index ba02a95d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 1e132d0b9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index c83b967f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index ddbb79752..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 9e7286309..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 7910fd5fc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 35a17f491..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 7f4b86647..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 179988073..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index f8cecb127..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 3b921e5c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 9b6cba86a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index cdf9c1098..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 263fa7489..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 6a4f4b257..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9a4f22a44..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 25628c9e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index f14d38562..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 3d5105a6f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 66a6897ea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 451760e9f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6eb8be452..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 5c10694ff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 0daf0a2ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index e5d9edd8d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 3318ede27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 75b420a8f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 466f5308d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f194c1039..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9691f9c5b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 881f0b010..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7e986b61f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9cf720fe9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index b71e3bc76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index f070ca8bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index d7bddc41b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 1e870c32e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f9120e167..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index be03bb0f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index a2cfaa435..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 8ed8b5ba4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 6c9a5b17b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 3be9a6d8d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index b7f095f9b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 7de689d23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 87ad8cc11..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index a7adda466..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 977758bc1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index a15bb5b2d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index fbcb30e9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 2b5cf0bf2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fd159045d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 186d39814..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5f7732e12..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 80b1e7416..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c96b0862d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 0b07b7054..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 61f73f8e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 93b6bc76b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 0ab7536aa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 99fb247a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ae85c6b78..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index a28c7c94d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 252c1e902..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index ee254b080..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1c79d7327..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 4bc0609dc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 1cc2b4557..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 34fe07621..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 5744dbdf2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8f01b7038..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 2301880e4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index b504cf671..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index c6b2c553e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 753aad4a9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f13f7f79d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 063bf6579..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index b6a97508f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index a605d5111..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index c9266b8b9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 854cb72db..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index cf890cfc2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index a7bf92465..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 0c8f88f9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 4624a979c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index c3c74e030..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 4a4433abe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 851e6d640..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index c119322b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index b76c6e287..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index fa0c2e30f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 2bdb02f60..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b53240c4b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5684307f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 73ad83032..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index fa43a2d93..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 7251df321..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6dbd93ad9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index a9f703ee3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index ecb5ed1be..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index d7b723a8c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 3f2a50626..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 9d9a38094..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2b19df2fa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index aa52f819a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6a13e83a3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 920922e82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7d1f27c3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 27a9302e6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index b3d51119a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 43e267b02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9357ed30f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index a43b6a8df..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 1b33eba20..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 4bf02618b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 56d5bec93..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 04575fe47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 92f9da763..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 54dac5f96..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 3c05cd0e8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index d213ea312..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index f579e163c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index fbedcbffb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 1224aceca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index c59626086..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 1141a519f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 875d7d0ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 0dabe2c2a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index b7ec12c05..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7f1bbb134..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index ad0e5f77e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7bf6795b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index cf57c6e0d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index c46f25f20..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index aecf759a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 99ac71107..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 526a77150..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 6fb35d81e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index e322d040c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index f57834411..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 2d523b316..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 496078abc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index dc2acaae2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index d6b8a5a35..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index ece5b9069..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index a474b394f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 3594579ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 605d6734f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index d8e251b15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 55eba5964..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index a8a2ff723..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a7391683b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index 811fe7be1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 2ec934c32..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index e486e336f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 7bad4ad0c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 72af36182..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index dc2533f47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 1e2093723..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index cac9967f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index e3dca6bb6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 97eb2fc93..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index c75308597..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index c5252fc42..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 85e1a9f01..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 34b78f461..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 5c6d6209d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c6fb18a4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index c43447293..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 7300d68ea..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 586621462..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index a17b0c66e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 6ed5ba3fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 2c58aae5c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8e7009c84..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 469b5b965..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 8afb4445e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 407e16e89..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index e21381dbb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9fbff3500..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 9df0c1957..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a802fd62c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 2ccb06c83..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c1f7b09ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index b7a2b1416..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 39bef6880..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8c16d63ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 85cfa4395..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index ac8a306b8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 935b7734f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index acadd4788..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index be2389af2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 50e03b113..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 573c0743f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index bfe07999b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 1fdc0071b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 56ae2ccbe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 9835dca59..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index cbe38d9ab..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 9f523981e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index e73250b04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 8b8211a33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index fda5ff1ce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index 15e130716..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index cf0a26a60..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 8094be1a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 579b56423..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 0223b98f8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 6be84116a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index a4670592c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 6d5b5b584..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 0f225c6de..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 8386fa920..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index bbe724b15..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index 9b7191311..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index e163ebd76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 397c45daa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index e9135d9ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 49922629d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8b47395c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 9ffb5c5cd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index b227bac43..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 88b86f95b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 4b11afb10..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 1bed58b21..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index e9188eb74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index 0a0d0c38f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 75246f984..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index d337acc09..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index 536340f27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index cb121e4ae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 4ffca667a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index 57ccd3c9c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index 13f5692d7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 6b600c755..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index 7a09634a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index f84e9167d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 4cbb6b6b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 808ec8a97..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 3e44aa214..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 99063de91..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index f4bd154f3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 8fa4a6741..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 4855f9093..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 8da4b641b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 1627c07d4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index e6077885f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 98c16e8c6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 1242a2861..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 2ee8ab470..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 26d5a73f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 3b79d178f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index d488d50ee..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 16c767679..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index f46f6955e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8a23ba287..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 793d3e746..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index eeb34bf76..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index c6cd8ffb2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 8505270d3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 19502d122..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 30a89a347..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 6926785ed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 1eb2ff169..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
deleted file mode 100644
index d872ae9ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2ce970305..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
deleted file mode 100644
index ce9b5329e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
deleted file mode 100644
index ea7473b21..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
deleted file mode 100644
index 3906f0e56..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
deleted file mode 100644
index 9feafc163..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
deleted file mode 100644
index de88c4723..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
deleted file mode 100644
index af41a446c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
deleted file mode 100644
index 761877847..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
deleted file mode 100644
index fe2476e70..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
deleted file mode 100644
index 92eb8a982..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
deleted file mode 100644
index 5bb9a8f03..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
deleted file mode 100644
index 7870a9513..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
deleted file mode 100644
index 378961929..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
deleted file mode 100644
index 4af74ac0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
deleted file mode 100644
index fa9572b02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 6e0075527..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 9bb9ccbe3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 1e9381c91..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
deleted file mode 100644
index 62697a354..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 5fc8c12a7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
deleted file mode 100644
index 915bd3e02..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index a7fd3ccd7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
deleted file mode 100644
index 63425def2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
deleted file mode 100644
index 6bf5cf34e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
deleted file mode 100644
index 4f706b6d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl
deleted file mode 100644
index d889e137c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index c290e8f4d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 1cbb67ece..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 18e28f011..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 044713973..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9f3291572..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 118a88fc1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 7759e05c9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index afc636150..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index b33a0677c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 6dd4a65ef..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index a89c5fd71..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index 6302f9956..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index df643e4ec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 726912550..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index bf8400a13..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c497655eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 5251a511d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 026854b5d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8cc33a580..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 839203959..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index c7a38d8bf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 17287dbe7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b4502f65c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 7baca1f31..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 5d9b562e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 663f14c4d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ed21a5113..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ad4b2d55d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f16ea9079..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 463c670fd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 743460145..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 84493d2c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 2632f4512..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 158ae4c47..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 415797a38..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 591b3022b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index a69fe2e1a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index a1cc93b68..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 39b39f454..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 091649f83..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index e9cd1fb0e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index bf0229d4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 13956f285..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index a7ac7984a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index fbbd4aa62..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4385c245c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 87d458bb2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 683fc5d9f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 575f2abd5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 2ccce8da5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 27a5da0cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 8d9112bbb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8175093f1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c9b1ed89e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0a0c311e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4878d5c01..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f56302d4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 098c33657..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 4bb55eae3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 05221a536..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a31337c27..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 5c8b04082..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 5384b0a99..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 6dd49c382..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 45dae822d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 38f4f92e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index a7b989f97..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 3983c504a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index d5884c6bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 3f238d75c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index e0c353bd1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index aa6f0d69d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index c63376b98..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 8e7c9c9a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 403b7d960..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index ed2cf62e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d39a95e1e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index fee6970f2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 23c6eddfb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index d56156fc9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 7835e10ba..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 730f23f3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index efc71ac16..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1e373abf5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 594205d82..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4465dc7e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ad58a4bb1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 5976fc513..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8052b75f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 6d11c2970..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 829ca4842..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 01d2bc4a6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 8c01ee1b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 77d888c3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 7bb5a6b73..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 051aa65a1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 82931becf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 8bad9467f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index cac4eb078..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 011510a3a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index bbcc9acc3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index bceac5a4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 4941adaf7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9b2678151..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index c24ce92e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index acdcb92e5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index cc9995be4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index 9f3f5d5cb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 46a515562..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 82fdd2517..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 597c29612..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index e49275eb3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 82f1e18d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 05f07ffce..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 9935282f6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 324772604..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 173a926ca..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index abb2534f5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 37e708e9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c6be42c4d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 47532e4eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 41513e1af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 1b7ebbc34..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 17b6a2106..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2c06389c3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1fdde0b1c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ddf5f6e9f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 93ae3b2e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 1abdca0b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 69897ffff..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index be63fb493..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 861614d04..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9564708d6..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 1adb16ee5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index d6fc3fcac..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index e22c9f7b5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 925f763a5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 689dada3a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index f8a257982..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index 7b52ae66e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 6db275b61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a82c1505a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index db30ba78e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 55dd72619..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d1a2a7566..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 93d392a1c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 314ec2607..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index bca85bb8b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b668e548c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 39703a63a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b41666f3b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 5178a5710..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 3d63bef1a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 9f5c50ee7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 1f5630084..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 2a24d52b3..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 4c8a9a00f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4cb337643..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ee72964d4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 1755e3bc5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 2284c5e79..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index bd83e3292..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4c681fb60..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 2c04740e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 71a35e722..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index f590787f9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f381f7de4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 31e09cc74..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index 640a558f4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 036588402..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 758736c99..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index bb9dd545a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 181b5c931..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 35bc16ba4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f178834c1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 647716d48..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 209657006..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 8ff4571c7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ea1e06031..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 81c27f756..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 467db302c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 447476b4e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a93b07e5f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index f26ee8a6d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index c7640e122..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a30204b4c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 97930972c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 79c0e77c9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 01744bdeb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 441aa338c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a8456c60d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 434212397..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 020fb0abf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index f493ba528..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 059d36963..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 951e4a595..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 466394e1f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 8fe0c6a5b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index f454405e2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9cc6734d8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index faf2e5395..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 4f1f45ebb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 9871a45bd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index 9f4ecf3c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 59fb538e9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 30ccfd65c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 5821c7580..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a9a911b61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 133de6c0b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 641345c03..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a77e1daf9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4c7d3161e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 1c7122bc8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 6c736deec..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index aa736d82a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 727ff294a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 7b918dc13..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 8aef233de..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index cef9d10a0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 9eeffe501..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 19492073c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 4019c2656..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index dc6e33af9..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a3fadd688..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index f39884c98..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 6391f092d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index d5ccd0dd5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index c3283af86..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 8af9a8525..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 866d8b9e7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index df0716c23..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 9a456e443..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index e76a78f0f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 52da2684e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 5301dc80d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index f3c6785e0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 59bb383a2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a48d8fad7..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index fec979bfb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 499a31729..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 3f61104e1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 10cfa40eb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2ea71eaed..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ba8383e43..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 29892e305..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index a299793c2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index c0c702ba5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 5490a2659..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a24b90171..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index d103b2194..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 620287efa..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 265cc4a8b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 587270ec5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index affcedc26..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 48b3e2c6a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index b11d0ae67..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index 98d6be697..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index 00546e564..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 28b294f5f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 668649766..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index e2bf9074f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 78159792c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 93e372765..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 6c023d968..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index ba9207ec4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index faa97b740..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index 4b4af6667..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index f3ca7fba0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index bbff15949..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index b9cbdf462..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 2ff52f31b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c2a94a77e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index a426e1ab8..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 3f6d0ac48..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index c000bafee..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 40dd6b29a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index e78432728..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index c352c4da4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0a53a2dae..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index f1c113c33..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index e9057a899..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 535c86276..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 45482cb59..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 72180ab9a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index d548bcb8e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ae8f789bb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 4a39ac231..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ffc99d687..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl
deleted file mode 100644
index abc28486c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl
deleted file mode 100644
index d9be5ba6c..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index e181bb3bc..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 27e0b9670..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
deleted file mode 100644
index 280405a2f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
deleted file mode 100644
index 4b0c8c811..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
deleted file mode 100644
index 8c19b0abd..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
deleted file mode 100644
index 221021cdb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
deleted file mode 100644
index bd0fe832d..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
deleted file mode 100644
index 4b26db0a4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl
deleted file mode 100644
index cf00b2fdb..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl
deleted file mode 100644
index e28a6eb37..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b0b9585d2..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index ca1c03c2a..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0df44c6fe..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 7c7a8dec4..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 3fc0b9f17..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index bf3b26662..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index b13ae24ad..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 02e0f2420..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index f593422af..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 7f9c6b0c5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index bfcd5d422..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 44463fa3f..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index cee57803b..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 80b4244cf..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index ecda8026e..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 0d4be9d69..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 7cb7d5eb5..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index b326a9ba1..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
deleted file mode 100644
index 0f515dc61..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
deleted file mode 100644
index 87d0634e0..000000000
Binary files a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl and /dev/null differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..df8f0a5bd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..16d37e141
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7f052bf7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e2b945a7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0fbce2a00
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ed906789f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e74760a30
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..fba15456d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..0bd378a62
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..2cb3c1e2d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..f96c94bc9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..fe2c7aca6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9a5444940
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..d259982be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..e9d304e53
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..1253af8cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..04e28d77e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..304046212
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..75049fcb3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..8e973848a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..fbb74e2f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..8b62a54a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..347d97f99
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..7dd56e7c6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..8ac2bf84c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..201dcf39d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..966c27301
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..fb1150c65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..9853c032f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c4e6ca2d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..452343845
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..40a225fd1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..3b970e95c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c30feaebb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..3a1eb6c36
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a353757bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..879ab9430
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..31e7ebe99
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..34021a72e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..fdc8d5078
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f7ecea3f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..4d9f1542b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4d514283d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..5a985a73f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7880249ea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..38e996f10
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..a2f2c3254
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..731068ffc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..205f530d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..a03bb35b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ee358d63f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..24cf7ee9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..9020022fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..9b1725350
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..111c91a4b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..4a43474cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..7a6078e55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..9ca27a0ea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..7c08a6a55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d78cc56a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..c00a43787
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..374de2611
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..4acf7f257
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..fbed0a792
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..348eac26a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8d4998531
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..222f1addd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f64a7738e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..05eb4b2a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..32cd27f6a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..ffd62ae80
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..2925bb28b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..4285d1bc6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..7333b92de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..f983ae23f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..4ec9974ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..c973d657d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..7cd6846cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f50e03a9f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f16f24ddc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..a7af1cd48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bcfaff788
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..002691d85
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..fc42e4d94
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..5e3c3b3d9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..f9057d028
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..ddb7fefef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..4cc72a761
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..60201eeea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..b873d9461
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..5a141759f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..deef6fcdf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..9912024b3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..53523a1b4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..15edf0ba1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..95af7af28
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..5ea0c86bf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d271766c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..6109a4eed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..2d03ad12a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..aeb4ae172
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..8e1cc9195
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..c35557dbe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..957b579b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1b4f88dce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..fa7c955ac
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..922bc4d9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..3de23ca72
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..5f65a0a08
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..310925c4a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..bd5c9b30e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..871b4a19f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..1c1c0d9f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..43b206765
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..30de9f9f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..6b09bfd5a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8b32a4e05
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8e3dab751
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b8e5d3c57
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..39715ead6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..08ec63ccd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b5922ede9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..1f0e3e5e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..4e792a3fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..f3ad3cb8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..c94e2693b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ba7bae027
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..d369548be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..929bcf164
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..5a923c366
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..654a6e7dd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..fdc8de36f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..12462ff0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..870a23500
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..fe0e65994
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..4218ac95c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..aa622afa3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..924ac516b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..a3cc3c656
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..3ee986896
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..ef3dd711b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..878462d32
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..6c5b6b2f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d74b7141a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5f5ef9a48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..265f691d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..e47dc19d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..93520fd37
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b43461c45
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..fbbabb424
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..4d36ec72f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..ee744410d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..7ef6aea51
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..dfaf4bdcd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..506b3eca9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7ccd6eec4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..55901c933
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..82c46b4f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c4822cc01
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..2431b4cf6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..f09cd97be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..b2b0928da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..9e9ebc9bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..34fff0388
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c90cb0f82
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..28778fce7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..67630b9d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..72be87538
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..e93d008ae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..4d4919aba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..db9bbd14a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..1b3141f45
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..80d7629b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..40a9ab8fe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..1ed0f5963
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..a880253da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..bc2eaf938
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..ed08fb72f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..26ffa5bcb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4e8e92006
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5f658705b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8ff8ca662
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..6448f0dea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..7e500ff5f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..b8d4a6d7a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..f0d5eca27
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..9ab67d8c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..5d4e45236
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..cb7d5534f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..bc27de7ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..9761634af
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..6955abc9c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ba7f5846f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c97b22ea3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..abe18c744
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..deabb9f59
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..4e1c43e07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..e86e0fba9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..35b18ca2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..0d0fe5d0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..405bcc644
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..4e7531377
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..eb226f17c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..961278ac5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..2bbb89adc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..726647be6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..cb0197b29
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..0545589b9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..e9b93f379
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..9391ceb43
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..d3728c638
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..c5f1b45a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..84789fc1a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..c1152fdba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..f865b53c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..1c2fe13e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..a808e2b13
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..be0f25fb8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..299fb63be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ee78a3cde
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..25c252757
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..c4539dd4c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..8f3bc9d91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..cb134de61
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..dcecf1f15
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..9d2392f3f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..37798dd4a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..c85c15e2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..3f7032b4b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..257b37a49
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..0dcba5e2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b42a39f14
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..37d0cefda
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..fc815d87b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..01c8ae576
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..95dd7e4b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..2a8054eef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..93f34845c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..3cdb7aa28
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..c6644093e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..45e73a58c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..311355584
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..70f6fdde3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..6a3c47875
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..5d4192104
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..a65ecbdff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..06d993a1f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..0a91dba5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..5d3039f2d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d244a6d4c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..af0d71278
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..02f41bbf3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..9c30543be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..de54e9486
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..2cfef30cb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..7d63ee8aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..92575ea25
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..b5c1b1f88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5eb324cf4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..e1cd14ecb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..bc2bfb98a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..caa01c29f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..7c57df1a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..0df5ff396
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..dbb6fc1fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..0feb1f9f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..86fb6788c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..ec405b801
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bc2de72db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..30497ef2a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..65dab8404
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..36db27778
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..ad0fa13e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0042477b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..e514537c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..7ef893aea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..c1faeb239
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..2ea5207d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..cf784ae56
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..7fe794247
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..ac0236855
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..0f531e2a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..41351a0c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..965e6bba7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..73689e711
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..bba4600f5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..a8fa8e8f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..2dc91bab6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..679c1f687
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..d1bb213b3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..d2ad87738
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..2d35172df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..b4d1e38a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d017aaf10
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..041799dc1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4e1ae42a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..02a37c8b9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..f481cf7a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..62302e4f1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..4c55e2250
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..159fa6700
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f4d30257d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..1051b8fa3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..ace33ca6a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..6c4c0e532
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..7cf96e1e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..af35b2f56
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7d7785529
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4f4612320
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1e12ffc5b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f767e8ce2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..522c4098e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..016865ea6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..3d3303a50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..10d646849
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..b60b7dfc1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..90603ff3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..0c8a6842c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..b3262c192
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..eb36cbc67
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..ffbeb156a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..ad62e06c3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..f4f38125d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..30c63f9f1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..2b5b6943f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..8283db4b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..d31586ae8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..3143ba445
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..2d87db8e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..9303ed619
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..6f9531ce6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1c9893e48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..b63c639f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1ce1798c2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c34436ffc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..51de1cd2f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..612f69fd4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..5f93e1ae6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b3f39ea92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..fd305e861
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..a68ca37be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..7758f6d53
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..6df852ac1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..a90ecef0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7ba61ba91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..770cae0fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b0d272c82
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..5bd99d964
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..61d789845
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0b4ad5055
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..2541a4bc5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..c37116c2a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..2cfe449bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..d4ecf8f55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..301e4b0c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..cfdfcc740
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..0761a4663
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..08eabd5fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..4bbec9c9d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..a2d80064b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..d3a3184b0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..c61cf1abf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..eab0453a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..aecd37025
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..2026647f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..d38154061
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..60711da0d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..92f7c8fe3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..50b5a398a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0402c8306
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d29e17bf0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..cee278aaa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..01968d98b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..1d23d5f3f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..7cb11d303
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..55382e014
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..a434f96ad
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..159298c42
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..46e4b0e35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..959c11f91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..ffefca50a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..28e3fd9bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f9321b679
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5eccd8f65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5bac06724
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..3c09dfde8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b7b411c54
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c4c132aa9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..ecaf620a1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..6b893eaa0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..c06711c37
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..aa23e24a1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..735ed451d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..61da0f668
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..300e3fcfb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..a1c3ce41a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..823ad8ad8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..f553a5026
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..96fdda0b0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..e25bb48d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..fe0bb84f0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..7ae1bf068
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..acf4b9dbb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..968883a5a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..4788af124
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..be0f77938
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..5df861f44
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..01f8c359f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8ec9977a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c5a9da450
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d61315e6e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..65bd4b7c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..8b41c87ad
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..819fceea9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..10989d282
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..390ffcf19
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..f2275aa47
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..fa44dbf34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..a000b61c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..14e5740b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f2d305157
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f27b7a557
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5501c3874
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..2844951d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8b444c559
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..65984c06c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..68803375e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..5c11867c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..6fff62564
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..f4f0cdfb8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..7714c374d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..270cbeaec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..6a3f5ae4a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..df9b862ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..9531f5302
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..802ad2c34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..1c6568da6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..c776d7086
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..67ba06794
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..10b7b99df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..06fd806bd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..5eb568566
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..41ec17675
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..4ac074a12
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..03f1bf3c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4c240c820
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..87ef99c2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..9b4eebfe5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..dffc4dcc7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..8701ba198
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..cc41f3f9d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..f92b181da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..82f65476e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..451ea85a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..9f25a8860
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..4435fec16
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..9fe0d8a77
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..dbd733b9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..0db12577e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c11449b66
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0f333b37d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..39c909610
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7e495ab04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..14c044b5e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..5f838e46a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..8902ff3b9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..97d654a8c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..f75ffa7a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..05fdfc019
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..6e9fb1b72
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..640236d9b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..5b230c09e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..599a129d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..8c9791c55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..639373763
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..35c5afa85
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..09197eb27
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..fc0212eae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..033cba112
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..73ddef83b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..556ba3107
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..3a21fe26f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..9fc0900d1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..3cc6a9491
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d6c57e5c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a2a177296
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..6125a1e70
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..f998131ea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f70ecd3d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..eaa53be2f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..1dc6e7da0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..eb23ea214
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..eb3366ca2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..7e773505e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..d4c332b07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..b900a26c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1101a4adf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..394b6d2fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0d13bd8ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..91c1c5198
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5497d0d63
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..df738c9c5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..1e1606375
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..40ba47b2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..0a9f487da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..2f985305e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..adc7e45c3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..9064ad522
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..b74a7f5ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..ded4f7b1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..468910731
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..355c725e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..c1ceaa2a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..ff9050042
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..4babd5eb7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..9aed2e8f0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..e93858f35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..1a813b10f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..5183940eb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..f76235795
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..c6e406d1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..dd7085bde
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5b18808fb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a2198e9a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..b91c45666
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..f274d669a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..7070cbeb3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..e1df0f82f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..1552d8858
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..443a6ae5f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..984c7ce02
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..c9246f6c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..7e810ae71
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..296242da6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..30e38775c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e2467bc38
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..834241b2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..608732984
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..39e827a8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..28d3813d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..423c97927
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..de9fd5119
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..5e9a31885
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..2dff36ed9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..bf401b5a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..2a0dbf6da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..30ecd2262
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..7b985a75c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..876bf7a8a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..ced45af8a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..5f922bc92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..d6556bc0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..f583639ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d53b414a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..7dd916f2a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..85f3ef76e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..afe64a69a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..04b7d0ae9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..a4005d047
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..3a2c01935
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..9ed8a1458
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0522ce7cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4db5891ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..dcedac0d9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f7f48ac54
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..d592ab0b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..8f0f8088d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..5cf6d475e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..1743af264
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..7e47bf322
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..ae0c59a43
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..e8456903b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ecba7f10b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..a7f86dfea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..2f441a2d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..dce919b33
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..73eb0093a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..2a59b9ad1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..9eb8dc0e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..fccddfe5e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..1741fca54
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6c9bf1647
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..53bb47771
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..225777eb5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..ffad95ef2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d288e3c7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..617c22126
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..fee84bf48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..723a2e8d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..1f12aabac
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..5b668b041
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..f5332e73a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..631876f3a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..75d7ab914
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..21da3af42
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..5acf03cdc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..fe83cc105
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5248b9d04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e9f2d8e33
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..fb07f5c13
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..2f2c3aff2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..160f8c8a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..2d6e28d33
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..ddf98623b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..2ecdcb9e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..0b86e028b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..470b8ee79
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..dad13fbdd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..cfd5b6a07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..7126545c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4cef367c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..2fce25082
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..818361075
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..a4ab44698
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..9ac784387
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..112f819e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..0e7e58bf1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..0929d2fc7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..d4e4aba30
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..289a75e33
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b8138eab7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..a83220611
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..43dfe9261
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..611f2fa14
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..3e52f5d04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..f0827c7ae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..4d69cf9fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..5f84b51a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ae526197c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..6cdbbf6cb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..656b4b6ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..c42d37c29
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..80ea4af65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..1ca2e6559
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..b05afe3dc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a90c546dc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..23eb11c9d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0d125ecc0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1f1a68a99
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b9aa90894
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..2414e3d0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..be8c498ce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..13e94a79c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a705f1491
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..b0a6fe30d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..3d5699ba8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..997c4350a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..07998d343
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4c2802b95
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..9e99a22b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..6f6cbf205
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bcf2419de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7e1a95456
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..dd7b69fde
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..6314d6100
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..24080202a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..dfb91555e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..cb73b93a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2c27dc060
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..67513e95f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..45574ea35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..c6cb43bf9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..28babc031
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..9359c5876
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..914df28bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..15c915f7e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..1d635868f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..03151343e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..c40ff2932
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..e3414ae61
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..0ac15e73c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..60447fa74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..42f08ad9b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..45a92008f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e85de378b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..bfdd7b4e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f25ce91b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..71267c0d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..60c65a18c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..586b7ab5a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b8ae3ed0d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..5f8442501
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..2d5f4226b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..740592017
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..3a0b452f0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..c4c05d391
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..991b9b3fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..56cef42a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5bab30a05
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ced7247cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8fa03a737
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..e025e41ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..b1676cf20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..29eabda5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..29c8713d1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..7b1477b30
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e06de9a91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..3acae9366
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..1688cadf1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d9feddedf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..a0543c7ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..2bec936d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..c202dcce8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..fb2c06d40
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..8681bab42
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..5ff04c346
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..c5ef00416
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..7c98c042d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..7b69e165e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..02f2db623
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..828828489
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..7d089c631
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ee0fdda1f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d2b432823
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a92a7e668
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..0b94998c6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..4e9a530a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..424110863
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..73c70478e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a410c1c6a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..a45f76de0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..efd74e36c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..0b13e84df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..045a63c58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7d068c148
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e693a5992
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..207c319d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..07816b87d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b1c0d81fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..343b9164e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..e37430810
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..b03879843
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..0ad8aaf06
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..8339f9bef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9593df312
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..abbb71fa9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..ffe551c52
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d13b3cd1e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..e82453344
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..0e5491350
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..03ee77538
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..ffefdf2f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..f434e0b52
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..6b7df6df2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..9d9dbb98c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..845d0db46
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..1c7eacf4e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..51b052631
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..b450b5296
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8cee0a4a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..9e340df17
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1cacf00fb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c870e1d85
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..f4f310903
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..6f2ba13a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c3f3eefab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..30e97b4f6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..10c5474b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..4b51cb22f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..290d1bede
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..4480ccd77
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..a66ce4011
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b09f8cbfa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..aff00a9e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..3e3fbc2aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..00db2d351
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..12b611415
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..ff8f96b7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..45ee14410
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..8ddfba10e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..40bf17ac1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..db30c212e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..49c67b68d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..44b76fcf2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4c9403126
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..ec883cf7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..f3bd320e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7a5b292fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..60ae361a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..1188050a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c834dd15f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d51c4df6d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a108cf712
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c08200cc2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c02afd6a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..786a7d6f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..485327ecb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..bb89888d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..f63d1c85d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..858942cc9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..525ea613e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..fd102c7a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..df0656de7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..9a7542a83
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..886c37e95
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d2d198cc3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..1414f8589
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..25eb11ae4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..6a3696010
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..9d5948f5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..76809fa50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..c835cbe5b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..f7233351a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..65eb592ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b90ca2042
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..159a44dd5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..98b5d8559
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3ad72aa2c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ba34666d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..61ee5cc2a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..235a8f391
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..ac5e6218b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..1985e2390
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3dbd37cf2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b7ce5b152
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a33e92ba7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..75553e222
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..038de6959
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3c1610b47
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..346308444
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..79875eb2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..86f7b9d04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..742b21284
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e04a0c394
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..9026f4313
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..ed53c0db3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8a7e529a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..f8c6520b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..58b766ac5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..e6c66b20c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0c2a6055e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..8c6ee7d05
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..45968a7f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..81373c270
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..d129215b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..82993bad8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..bd9d9159e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..84a77e166
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..f8dd988ad
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d516cb1c2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5509ccfc3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a00e1378c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2b9e9f9fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..9071829c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a60afe5e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..ea552c9d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e45084dc3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..942fe4bbd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ca5d713e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..85cb6d746
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ae3e0fbdb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..5618e6dfc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c352fd0f6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..940eb8b68
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..7d33dedf2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..4167aaae7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..c065bb389
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..8ad9880c3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f1aecf5ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..6c69962da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c1abc5e28
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ef2f84b2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d3714f193
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c41edd274
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..da87fa802
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..ba1e76158
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..e76b68c6e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6b160c6a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c949ed339
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..21717a7a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..02230735b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e6f430d76
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a2592b6de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c0e974941
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c709ec1e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..68bebe4e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5f33a9711
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e438db7f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e2714013d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..16ccb4c65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4450664da
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..08f946196
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..d97c0f50c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..82ba3ee07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3d0e912e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..738f7152f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..55b4ed4e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..4879269df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..5828046c0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..2ea464e2a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8dcf25961
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..039d691a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..525c0bf0e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..267baaad9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..2f316c035
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..273c6c8d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..acc33ba71
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..a575605a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..d91ecb2fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..39526e509
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..52ef45f97
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..957815080
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5597afee8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d13c05ea2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8481bb55f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..37d734c4e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6fe486e55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..b25ba938b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c4286be50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..0779724ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4e270b113
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..99e7e0d7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9e7aa57c6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7d5ec7328
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c3a91e063
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..58bdf3ed0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c0390ea84
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c8c8421f1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8e06323a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..881ebaddf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..7acef8862
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..907dd711c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b300bb772
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..9a7a28527
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..a7ab8706e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b723bb411
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..1b94c258a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..ebee5226c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..28ba764ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..5f7d16774
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..0dd6de4f1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..9e67d5236
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..d0e5b0659
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..f75e39de5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6bac9a799
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..b7bf2f1b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..196490e0b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7150cc2c5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..08c5ddcd9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..dddf8129a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..204cde476
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..fcf4eb40b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..7efe84451
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..0ae9d3580
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3eb6de9fb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..550ca1f58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e02b15155
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7891fcaf0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a903d304d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..362573f44
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..87babd3c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d331b3568
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..d35366b1a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..f8d5aebcd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d71652cc9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..1a46734ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..34f0ffeb5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..e94b64c24
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5b2918944
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..df757e39d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..72a169f0b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..01f09be67
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..caffefaac
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..97834c62a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8d88fa2fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..abc64419c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e66bd71b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c47ab5628
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..d418169a1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a07fd53ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4034fb598
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3bf349a25
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3e1cf9f76
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..286c56776
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5f984e986
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3ab1afa18
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a48abeacb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..64696df75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6d330f502
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3e3d94ceb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5e84274d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..63393ba5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6e1ad759f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a5b4537fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..6bb09b656
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..c414c3799
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d90736a53
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..28b7df133
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b20244578
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4e4dc1897
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5ebc825b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..bffac112f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..880a2b1bd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..74e0c5fbf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..be6961ad3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..e4c6445e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a1be4e5c5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..2b38f6863
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2e245895a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a4ad664d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..52365f43c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7009be5b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..73d11a9ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..cddd92649
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..61f2bb5e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..0e0f26d5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2bd2973b4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c352071ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..fb77e86e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..1a26bc773
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9181776d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a25cdd920
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..7f3e9979b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..5604b5b4a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ec7baa8c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d4c2f406f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..5901b7227
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..2244c7f0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..78b53aaed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b1ad57f02
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b94744898
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8a608af32
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b93ffa67a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..f4f44e1b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..1cbf7fa1d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..e354c83ea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..baabfe572
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6bc843f9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b647aec2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..503b29435
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..597c7336d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..3db378bbd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4d3e789e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7728ae5a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..21419c26a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..42703f605
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..df221b2fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..7abf702e4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..654963833
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e03bffc45
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5c71526cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..1437e54d7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4d3838241
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..714ef7aae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..be4408e41
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..4209f459f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..197f01a7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e6a21ddc7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..028de8497
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..bbef1df7f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4a4b94e10
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0192815f1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5c386bdb5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b66f2f6ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..ed9017a7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..cdad41e7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..3755a63d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..1ab5ad106
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..e778955d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..fbf7bcd50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ccc553964
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d6c03a8a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..434fdb2a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d9118bbe5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..246f72fa4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..eca0ba6ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3c7d1825a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..0e93600fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8d4783f2f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e4f627c46
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2b8316daf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..64a586d21
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2bfe10ea8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..2c0624458
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b26c9f3f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c0b13e8a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b20f186b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..fda96c737
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..124676f62
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..11b132035
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_advanced_testing/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..c92332c3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..94e39cf06
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d61b68a8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8d4d8f186
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..8ce146aed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..2e9c39e64
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..10fb44673
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..43134bc7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..9ce8e87d2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..22e556795
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..cfd23f550
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..f748d1ad0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..43f4ea183
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..5a8e47971
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..4234da84b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..c152030bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..d885eb52c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..15681c28b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..b3b0e8889
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..8d5c77aa3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..507dea19f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..8ff07571e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..781dc54f7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..5ebf4e089
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..6aa36cd8c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..112a9dac4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..0f092e6d1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d6c08a783
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..29ec25b9c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..16c8ebba5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7ce5b13d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c262aa364
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..968cacbe8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..25710989d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d25b0ecff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..8836c31d9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..40061e69b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..f23e5f401
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..cb66aff65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..7b2a7f413
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..91cec0a01
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..c6703de13
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..74a7a6f46
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..c3979f3c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..812e0d484
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..b058fb54f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..ae6e564b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..bc2597c1d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..4167ffb55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d38efcea2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..1484d711d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..0976c09ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..73191216e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..fb0ada125
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..7b09c2a8c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..99fdb0501
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..89dbbfe95
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..db7aca2e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ec9fd25c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7c9fb537e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..f42b72435
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..0e42e847d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8c613fb84
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c83c49ed8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..f8826df80
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..1fa6cb29c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..68b0d98c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..52db5cd16
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..f0dd25676
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..bfc19e16c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..1aa213596
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..cd42b05c2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..aa6b7276a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..b441d6d1d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..8f904abf1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..32e591a75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..5be3c2d96
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..568be6890
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..3afe7f29d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..46baff7d0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..dce54a8e7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..e8a5643e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..f84c39293
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..2439bf972
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..9fb86ca7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..eefbd8b2c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c6117c39d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d8854233b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..229f18358
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b5d9ea2c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..033ecd465
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..2a6efa6c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..46e53611d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..3d6d90132
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..fec4d74ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..3e3f70380
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..561904233
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..effa30418
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..55ba0eba9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..cb1b47ddd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..027af4e3e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..d4e841d8c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..f117de287
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..4458d51a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..56a7ba346
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..b6c66e0aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..80b636eb3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..4db5096c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..baf174eea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..31eb76bb7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..83678907d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..5eb83f199
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..610b5c593
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..96b85748f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..aabed1433
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8683dc770
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..dcc5ddf34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c8efd7356
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..abdc7d451
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..536d1afcb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..427a85e62
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..8813fc233
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..f5c67d1e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..054c0552c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..356d0fdb7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..c1ac58791
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..4bf09b06d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..84f86d822
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..8dd681f0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..9fe4348b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..033b7ecb4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..eaa5e5e49
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..578914afc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..8e8e63f6d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..152c2d657
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..012535355
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..521284237
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..96ca833e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..7b1f2bac4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..a334ac8c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..9f6ef5138
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..05c12a525
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..96973a7be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..84eb60195
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..01941dd11
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..88476395c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..9a4df742e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b852b0376
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..d40252e9b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..3c40d1e92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..a15be175c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..cbeee1e4d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..fea11a5b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..df2bc9353
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..7e67dbe5d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..26b5c9aa7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..16c68eb1a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..81cc5d071
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..b68c4a712
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..f3b38fffc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..a1d450741
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..6cfd3be5f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..d47943fd8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..d6c84d736
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..5cce8947f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..abc0fba58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..9d0134045
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..4f3f8ba1a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..00785b707
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..d4d42007a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..9f3694b8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..888fc7b4e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..25965038d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..5b156a769
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8107d78ce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..37f6037b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..e5b61daa7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..cebca07d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..c307a33ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..064788f52
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..5032fba90
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..315968dce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..0baa611a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..bea6ff6ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..c512ff96a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..9a6dc17b6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..ad83c6b34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..3aa9d3f41
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..c113a2495
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..93e06b008
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..a610288c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..9a6cb1275
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..5f088782f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..a62785333
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..1b2b43d10
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..54a7a413e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..8709acf74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..57719e1bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d19dc1a70
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..4610ec6cc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..9ac0fcc59
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bf910d1f3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..62f05515e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..9e2205f55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..3bf63d8a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..404ff9239
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..4d26f7516
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..323241dc4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..180452b64
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..5875f7464
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..df924e12f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d3dfdbfd2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..258d766b0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..a49408e57
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..dd4495e9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..de834174a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..85d32308e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..e317e1799
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..9e2664623
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..20e4637b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..c1aff982c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..6ba3552e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..a3bdd79a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..48fca0a27
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..45f6350bf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..2f8dc76fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..56abbd76c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..76a9492fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..f00fb87ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..3e3385e93
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..b73d0fb04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b70cd58af
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..0ed47593f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..ece089e20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..0ee590b0f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..55a437ddb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..26520261b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..40395af7e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..1616a609e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..e29cefde7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..a63aea073
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..247e9bf05
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..9a4633745
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..6e026b893
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..0d0cb97ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..0797d3d6d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..c529b6ebf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..c056612c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..223f85e38
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..d938d7efb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..60991e372
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..191c389df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..5bd567d86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..d4e4e4fc3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..ae5b74556
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0f13bbd18
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c87fcccd6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..319058f70
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..062757efa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..eefc23ec3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..469094551
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..b4260bcae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..d8c25baa5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..fba8c5c66
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..316517d51
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..6793932d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..dabe22494
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..264c8154a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..2a548dc00
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..612f99c50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..5d7973200
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..c54e8adcb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ebf1a4e52
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..c7a805b3c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..3e84e3047
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..2cd0325d5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..5a57d9c67
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..7c75e1a03
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..a77f5ed5a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..357a74586
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..6e081450f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..fbff4acf2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..5a6b78842
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7020e3e9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..6ad806c8e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..6c57788cb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5b25216fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..90a1c19cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..4fd023bf2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..db19013ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..949e5ce22
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..ae59c79b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9eaad8393
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..f09663e23
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..a4cdd31ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..cc18236f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..540f82ba7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..0d9d38f58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..61aade04d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..fe5e72a8f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ae7d89b2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..20da09926
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..ba0599014
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..87cbabd00
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..92924ce9b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..35450b863
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..9170295f0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..36e032fe0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..8d325ed15
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..175e4e355
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..808851325
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..e5a5066e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..88d41f25d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c697b02ee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..66dd44754
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..64761f47a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..a0ccbd5cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..dc60f33d6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..5f81a8006
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..783ab2cec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e4585af76
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..ce40b8e1e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..951f9ed44
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..4eb8d5e77
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..31af911b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..9dc589162
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..7c410bbbf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..4ee3b3f8a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ee59c3b75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..a34c3741c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..b4a434321
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..4f7059840
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..d90dbe58c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..9d8d2e71d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..720e3d6bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..228d63c48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..60f695540
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..534fe3b7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..dd88ff3f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7236eaaae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..90d9f4d50
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4d85c8f61
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..355747876
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..979e53602
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..e3879d5ef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..11a5051d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..b43a87c95
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6eef5bf77
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..4603a2719
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..6e9441651
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..b7ea64c89
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..aef3e2e9f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..e14f863c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..59eb30548
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..aeeaaf027
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..4013981d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..340fc5189
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..56be1b1a6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..b9a15e48e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..010e544b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..0e0617be2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..b40a980b0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..d04d7c1bd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e16498520
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..7864eeac9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..f56121864
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d36825d93
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..953b6282a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0e9618fa4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..6e12bd577
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7bc457805
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..65864b976
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..8c79df9d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..ebf131709
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..08fb32546
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..9e0adc28c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8521eaf89
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..431b96bdd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..fa224aebe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..8850c4fd2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..c3a362790
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..21af10710
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..4926cb100
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..df36d8d60
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..f98f22ba0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..d80fc9fe1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..a64216ec0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..6b7ac5e3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..4230a0245
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..b584d680e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..87dd2e86c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..442bcf833
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..fc7403688
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..1fed0e4a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..a877552b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..bcbbac40c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..d85a37199
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..88f5bdbb1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..dca8511e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..3839575df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..25875f274
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..312ce2f09
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..5e27ce8e4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6b104cce5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..c1487b2dd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..40f3c9b07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..bf45e94fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..c3b62fa65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..e19b57f9f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..12a292547
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..d2613480f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..20385e4cb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..df8403c09
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..755b4ea2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..a74f7cae3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..d22c0462d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..7fa2c242c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..efa787ca3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..b932711e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e387e80c6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_predict/02-predict/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..0902ffa6a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..c9efc87a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..94a7aa003
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..08676c975
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..c00a5dc88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..64caab5bc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..cad14784d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..3db341376
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..9a4374d2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..5f7afdeb3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..edb3768c0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..39a4c03ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6e238b94e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..725e665f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..574b7c2d1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..a2f73b4cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..7fb6301a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..bed32b544
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..9025ec1f0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..23a68f09b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..30db2c147
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..3ff3f7b40
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..57bc6043e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..d9721a05b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..87fce9de9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..6ed9c845a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..21e249df4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c79bf05be
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d9dfc31e6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a21801295
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e50e99669
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..7895858ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..949cb5d96
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..510bd025c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..2b22137eb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..d62c10343
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..9f401d010
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..ae76ca310
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..216e46a60
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/01-koopmans-dscf-snapshot-1-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..59e1973e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..701e14475
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c9c0e2eb2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d239ae51d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..dc89bf0fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..abcb02b20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..482e97a26
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b54275a7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..a80343081
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..2cef65a99
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..0cc6d254d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..dc2d6fec5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..33139bc1b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..bcc56152b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..85531b9e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..4283dc309
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..21ebc9c8a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..133209c07
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..90d7dfe75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..8065101d6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ed4072c8d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..e213be7d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..26707951a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..9c99609a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..4d1557767
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..e1a7e62c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..83e22f815
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a2b2faf5f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..5321a3f61
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8866ebc96
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a3fad791d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..cb52c5dc2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..deed651d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..4406eefb9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..2d7928a58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..d2be76625
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c905517fe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c729e9ec5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..b4bd30439
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/02-koopmans-dscf-snapshot-2-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..1728cefe0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..59d1c5c35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bc5b850b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..28b76d052
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..b5df37019
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..9186c2871
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c57cc621c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..273f8a300
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..14f97ceae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..468e52d71
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..55fb304a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..5b0e338b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..dd5bf37aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..7ea037201
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..bb86bcf4d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..75e6f3d98
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..0813ba482
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..c2955b89c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..3533be95a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..45d86bc1f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..fba08c88c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..2b5ee05e6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..623c63b92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..bc054e987
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..326be6c86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..4543cf5dc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..e317914a0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e8f007a9d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..2a00a2b92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c6e56bbb0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..221ba619f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..abd1b245c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..6d1035be0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..a72591700
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..8805d6f78
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..ca229da45
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..ace657fc5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d657e7142
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..d1bfa4dfb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/03-koopmans-dscf-snapshot-3-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..ed2bab948
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..378e9dbe9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..c4a00d498
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..18369ff21
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..31639f05b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..45d68ef93
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..df35d14e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..e958824c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..1975009f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..72d81d54f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..c1234197f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..f16d9e3a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..9135ce92d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..501c8d5e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..ec1c33864
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..25ad4f43e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..788291cf9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..dfd759f3e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..e48145814
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..af45f260a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..71c529b3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..334107c8f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..73042558d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..27c4233b3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..a55f112a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..bedea703d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..6027abca1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..9c9d30f20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4b7b5b190
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..80078f25e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..cb3c75d26
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..b3a11a21d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..63c46f5cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..de148ddca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..95bee15a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..55f9f3ba7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..9befcb480
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d8f5bab0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..614f78aaa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/04-koopmans-dscf-snapshot-4-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..759483c8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..a328bdbcc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..e80e5f896
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..84d6ca0ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..fb965905d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..0bd440412
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..cb5268974
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5de4bccf3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..4aa2a24db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..5e00b5514
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..2b3d7cd65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..f51d931bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..ff064d438
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..62555d43a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..652af0cd7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..15846e8de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..a55d56919
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..468aab673
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..35695eccf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..ee4d1f63e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..2426213b9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..a398c60fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..b86b5cb35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..5d198987e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..ea63aa136
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..983f605a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..88407374f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_10/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..09266333a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a4e5d12d7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..40f86c30c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..85a39e449
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..f4f5d45d7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..c4b3dd962
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..23037fd67
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..377fe53df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..3a094e0a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..850642fd7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..c1b8c9320
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..4f1c8b901
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/05-koopmans-dscf-snapshot-5-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..799024b28
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..ffb55454a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d3d53e040
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d63547eef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..06ffcc0ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..9f7c57496
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0620f3e1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..a29d399db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..f972fc957
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..1fafee4bf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..3efde49a7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..549ae35c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..31e48ccc4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..ae9418aec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..c411ff204
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..1b85727f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..78017c7a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..8dd374b86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..81a226264
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..97a0713fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..ae3aa5810
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..b1ce8f0c2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..5e5244019
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..2f2c6a752
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..77099aa13
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..86dcfc9d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..8dba0f957
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_11/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..cdf3a4d20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..2b1b6551c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..3731b5767
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c7620191b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..0136d9d26
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a26bb2f80
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..e52b2556a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..6fbe77342
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..d3110f941
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..ffa588140
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..30956f104
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..e242108b2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/06-koopmans-dscf-snapshot-6-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..3469326e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..1eaf84f65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..d8744529d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d66fe4591
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4ffbc2e26
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7a1bb4948
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..d6fd8d762
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..3810b0af4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..d541ed60a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..7775c980e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..bb82b2ab4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..5271251ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8e3183a0b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..632c15203
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..dbc28c7fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..262ce7bdf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..a970e76e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..2bc364931
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..0094718e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..d7b54818f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..0ca8a5a74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..fc7d15569
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..290536c7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..dd088c94e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..616ce358a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..aaeb2c8fb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..de7b84804
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_12/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c1929f267
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..176594e20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..018ad60d7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d9d0aef74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..8c96a9878
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..fcb58567c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..ed3f834e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..2baea9db6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..bdd0a32ba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c9f3099e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..b664686e4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..a1dd545ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/07-koopmans-dscf-snapshot-7-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..da487a9b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..15680f9f6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1b293b1c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..19ce48827
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..a11f81a9c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..791194aba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..2d45a188f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..9fc1dcdd7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..8221716f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..edab22f4f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..1c51372cc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..7228f46bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..389f4d3e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..c641ebf6c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..bd9562494
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..ca3054f72
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..4eaa64c0e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..0095d34f3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..bb5b59394
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..242868e3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..64741b4ff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..dd7290fac
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..bc22511b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..59f5feebd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..40b2de1e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..8ecb83f1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..d460e62e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_13/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..af64d9da4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d280fc77f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..882314e33
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a72eb8135
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..4e8dec664
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a4c6e8972
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c65869709
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..4a0b6db29
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..c7e07100c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..e18be75c7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..0e220a62b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..254913f87
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/08-koopmans-dscf-snapshot-8-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..b7efe877b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..90488821a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..66b0b2862
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..fd0a37fb6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5cf3440f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f6e3b3e57
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..710868c9e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..8aaa40f41
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..49a197840
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..30cae8b91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..3517da023
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..991292f34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..e4433c292
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..451b9023c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..7e1ae05b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..f43b8e720
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..54da94cae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..828cb756c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..e28f905cd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..d4c8bb646
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..f2992fd92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..df1f048c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..9f03ccc1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..49dc5f629
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..e22538817
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..e20a69169
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..7b3b2ae88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_14/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8117ff6fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..113373908
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0e6b0dc55
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1c12b814c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..ab762d96f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..816890efd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..0c5d6a83e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..6b614f1ae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..691d67011
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..d2cb78371
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..9b96203e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..81cdaf81c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/09-koopmans-dscf-snapshot-9-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..8316511ac
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..d590092c6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..08bb028f6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c6eded7e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4fab0fb71
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..dbada33b4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..1b1a78155
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..0fec97167
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..94c1cf073
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..4a6c2eba5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..7229c0bb4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..059c5ec83
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/01-initialization/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..8b6024dff
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..c24a39e84
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..9425193e4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..6247b2e6f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..3a10d395f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..bd66cca41
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..baccf9cef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..be315389b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..1224697f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..bfbe9b594
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..1e8ffd7f3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..3ea2026d3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..38b473e39
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..10292b14b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..f96825e0a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_15/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8e22a6c13
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..36903986e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..afebbdde0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..37a32cdaa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..d4e989c6b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..486c4bffd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..0f68cadea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..66cc9f1ce
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..6f011cbc6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..bdf621d88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..d86240da8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..a90c6890f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/10-koopmans-dscf-snapshot-10-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..d5cdf7dba
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..fc0ee351c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..8e905bedc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..75b17083f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..90be475e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1481eb360
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..6cc557e8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..76b8485fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..056babd43
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..3ce1f0a60
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..b07b9e580
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..cc29a9e3f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_11/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..6444b6269
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_1/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..3e1f3f996
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..f4db5da32
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d94c86500
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..9342d081f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..5a2218ca4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..f0a6f0525
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..b5234da6e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..5202b04c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..b21d08904
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..35e133d2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..07bfc8ea0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..8d6eafa57
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..4b22e6b47
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..acdac0281
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_16/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..195c40cc0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..68781b4f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..990737af1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ac91f8ab0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..9d39a661c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..3b5e23ff2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..53403f02f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..0d2257cb2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f8c892e10
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..de1bdb72f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..e9f906c8c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..2072ae91b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/11-koopmans-dscf-snapshot-11-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..5bcb676f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..52cc50e1a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..2394e67c8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..cb6232f66
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..1872c68a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1108652f7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..593c6310b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..45704a376
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..51ab9ec4d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..125a7f3a3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..ae8adaa5e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..bd983dd74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_12/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..a5327efd2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_10/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..bf0a903b7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..50304ad42
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..677c533e4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..22cba1021
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..accc679b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..73d2962c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..ee674089b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..385a0a612
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..c1e11db83
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..f3108efaf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..16e7a8b41
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..00d79db73
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..72c504f5e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..4787ef4fa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_17/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..4bbadf62c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0d2481da4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f65a508fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ac908434d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..9fd507462
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..77dc0dd16
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..4d59ca9bf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..7c3205460
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..dfbc55f91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..b503c53b0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..50c2f724e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..cd6034efa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/12-koopmans-dscf-snapshot-12-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..32810c19f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..842473427
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b3033ff3d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..81f5785cf
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..ec6587a4b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..93b2bb18e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..7f22cc216
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..e6b19cf7b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..068585ff9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..655d50126
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..865ca8df3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..9a96f571f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_13/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..12a194f1e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_2/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..2641de9dc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..36ed2828c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..c57a18a86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..d8d46f9db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..b092f14e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..61beb5951
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..c40cd19a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..15b888f75
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..6b8c20988
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..d0f28bfb9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..afeeaaec9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..bb1ce1bf8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..431d4dda3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..1e273dfa7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_18/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..b67f7a9ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8066aaa27
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..80939d1c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e1d1982e7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..c0ef73ce7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..4b3049fa1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..0ef0bdb4d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..6f1d27a74
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..b60117150
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..16b40fbfe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..983fdeb37
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..a68e3b5f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/13-koopmans-dscf-snapshot-13-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..b0f62ce52
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..bae18ed65
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..afc5e3571
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..cc251f915
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..4c5eb35e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..449ae4def
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c1a6c5cd8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..cee1b453a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..b74b81a6e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..0e8d28984
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..68b545ed5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..d24b881a1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_14/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..f88eba70c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_3/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..bee406be7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..dc446911d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..57bd2d1bb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..b04c49ff4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..0a95a629c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..0003afabb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..761af5d96
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..d0ab5b4e3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..84e2c3c5b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..e010af705
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..36d4b14e1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..1c823c4c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..9b17bd5de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..b45968a94
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_19/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..db16c7159
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a7d42fe46
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..448c4a4c9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..bdcd0e043
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..5196035c4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..37ec5b23e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..d2116c316
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..5e605ea8e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..c33055b45
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..c427f8f8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..842e9eb63
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..04e2eef2e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/14-koopmans-dscf-snapshot-14-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..44c6c55b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..18ceaf7f5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..76e281d34
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..603502d8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..685dfef49
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..0ff06c9f2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..0be2ddbf0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..6eb14c5a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..7d6924c2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..ed03bfb91
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..11018cec7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..8959b5aae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_15/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..2c5b3bac3
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_4/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..d55a52807
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..2b39d9c59
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..9ff7891de
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..2be1fc0a2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..3f66e3cdc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..4fe4d2435
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..1af5813c1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..63409902d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..3922e1383
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..fd6ebd7f5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..6d6658110
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..d807d7007
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..b6769f25d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..9c8aa64e5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_20/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..1337a711e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ae1074f42
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ad6d9c2ca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..46817b6df
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..0e0c0d303
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..c455c34e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..737ace051
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..36043cd49
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..82aefc2db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..1dd90c9ab
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl
new file mode 100644
index 000000000..bad94c692
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/02-ki_final_ml/ki_final_ml_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/03-ki_final_ml/ki_final_ml_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl
new file mode 100644
index 000000000..8ccf2c54d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_testing/03-test/15-koopmans-dscf-snapshot-15-of-15/04-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..e44a759a9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..ce5e919ad
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..4cab2b2c0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..8249dc6d1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..5b6113006
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..7306b802c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..c9bccb620
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..86b77413e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..5b477fd5f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..b3e97b1f8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..8191e8039
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..a690428dc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_16/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b54432750
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_5/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..02981879f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..a20390a09
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..d258da127
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..450b6128d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..21b6e3241
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..0a3a5619e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..0340ff186
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..61bdd63e8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..946c0bdbe
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..2b589f779
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..9f2fe838b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..96462c1a8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..5132ba9f7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..fce510bca
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_1/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ec093f8db
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..8caff2ac0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f4986d64c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..71b3af02c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..623111389
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..36e47c7f4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..2f7456f1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..75a9a7c48
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..b0e36304e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..d7a608049
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..42959bd88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/01-koopmans-dscf-snapshot-1-of-5/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..50b4cd945
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..3a042a9d8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..f1aa52a86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..50073a158
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..f834977e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..9689f0051
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..5676fdd7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..cfefe5579
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..4a502f6d4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..94929814d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..dd390531b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..af392c2a4
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_17/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..17c85de6e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_6/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..c257fa243
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..2e319279c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..fa8c494f9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..0659d358e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..77d8085e7
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..7038f7bcb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..1ac4d858a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..70e124944
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..577ae1497
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..d94c99930
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..c8ed59799
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..df5168c5c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..13c85ca86
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..5bb64ceef
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_2/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..23ce31d8b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..e0210edd5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f58f1ff39
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d389eaa4e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..173e90c0c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..fdef8c113
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..45f9e6450
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..946ac36e9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..e23913906
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..a966da890
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..9d89f0453
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_6/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/02-koopmans-dscf-snapshot-2-of-5/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..43d0dd05c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..a744591b8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..80edbcfe6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..4b13a4c82
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..bef632a88
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..1839a3a20
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..79b80950c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..ab72e8ddd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..ddfc58ca5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..9b159f4b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..634e0cd1d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..6e9770b7c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_18/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..b92ba0648
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_7/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..eb39c62e2
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..163cff144
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..a3fb19110
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..0cf31847b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..cf3e1a9ea
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..bf69cd087
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..34d1012ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..6a8355091
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..4e8fc4369
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..70f76b789
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..bc123420f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..97e6e6137
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..b45e51637
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..9aa40b209
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_3/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..058154f7d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d99854eec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..c660acc47
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0e118a8f5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..066db85b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..761cdf7eb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..a42e63149
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..793d0b492
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f1b5b5869
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..36c7ded58
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..a92f5ea62
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_7/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/03-koopmans-dscf-snapshot-3-of-5/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..5b7138c8f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..b53133792
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..b01a2cbee
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..355202595
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..de8bac6b9
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..677f22d39
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..730f44b0d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..637a95f0d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..62618fdc6
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..dd69d39fc
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..cb76a8e6b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..c279d4242
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_19/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..3f9610c1c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_8/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..aec3cd993
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..96af18e16
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..64c5f3d2c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..4730cc68c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..4b3403374
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..9076ec154
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..cbf96f644
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..52dea8b2b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..c6b02fa3a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..1efc13c76
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..16b940505
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..e09c82142
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..234494944
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..a84a7f300
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_4/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ec7fa0512
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..f4eb06569
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..b3974304e
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..31a2ae92d
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..3ab4ab432
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..5d4844fb8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..2c0e5c18a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..0562c6cfa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..f093c86fd
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..94a83bfe1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..cb88b4b35
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_8/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/04-koopmans-dscf-snapshot-4-of-5/03-ki_final/ki_final_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl
new file mode 100644
index 000000000..77e93df99
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/01-scf/scf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/01-scf/scf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl
new file mode 100644
index 000000000..2faa38d23
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/02-nscf/nscf_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/02-nscf/nscf_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..bf6a30d92
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..658e2c3ae
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..314d59f49
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/03-wannierize-block-1/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl
new file mode 100644
index 000000000..5d8681788
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/01-wannier90_preproc/wannier90_preproc_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl
new file mode 100644
index 000000000..cb29c4d29
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/02-pw2wannier90/pw2wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl
new file mode 100644
index 000000000..2c2eafffb
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/01-wannierize/04-wannierize-block-2/03-wannier90/wannier90_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl
new file mode 100644
index 000000000..016e98666
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/01-convert_block_1_to_supercell/convert_block_1_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl
new file mode 100644
index 000000000..b2eb76bf5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/02-fold-to-supercell/02-convert_block_2_to_supercell/convert_block_2_to_supercell_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl
new file mode 100644
index 000000000..764b6e30f
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/03-dft_dummy/dft_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/03-dft_dummy/dft_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl
new file mode 100644
index 000000000..e98cee9b5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/init/04-dft_init/dft_init_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/01-initialization/04-dft_init/dft_init_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl
new file mode 100644
index 000000000..57c72567b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ml/snapshot_20/predict_with_ntrain_9/01-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/01-ki/ki_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl
new file mode 100644
index 000000000..537fd5397
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/01-bin2xml_total_density/bin2xml_total_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl
new file mode 100644
index 000000000..360b3df22
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/02-bin2xml_occ_spin_0_orb_1_density/bin2xml_occ_spin_0_orb_1_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl
new file mode 100644
index 000000000..5cd76509a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/03-bin2xml_occ_spin_0_orb_2_density/bin2xml_occ_spin_0_orb_2_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl
new file mode 100644
index 000000000..8a7fd77aa
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/04-bin2xml_occ_spin_0_orb_3_density/bin2xml_occ_spin_0_orb_3_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl
new file mode 100644
index 000000000..c93caa690
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/05-bin2xml_occ_spin_0_orb_4_density/bin2xml_occ_spin_0_orb_4_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl
new file mode 100644
index 000000000..5056b39ed
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/06-bin2xml_emp_spin_0_orb_5_density/bin2xml_emp_spin_0_orb_5_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl
new file mode 100644
index 000000000..b7833a3ec
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/01-convert-orbital-files-to-xml/07-bin2xml_emp_spin_0_orb_6_density/bin2xml_emp_spin_0_orb_6_density.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl
new file mode 100644
index 000000000..d9faa0072
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/02-extract_coefficients_from_xml/extract_coefficients_from_xml.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl
new file mode 100644
index 000000000..6d4e150b1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/compute_power_spectrum_orbital_1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/03-compute_power_spectrum_orbital_1/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl
new file mode 100644
index 000000000..28cf6861b
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/compute_power_spectrum_orbital_2.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/04-compute_power_spectrum_orbital_2/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl
new file mode 100644
index 000000000..ff5a46f31
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/compute_power_spectrum_orbital_3.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/05-compute_power_spectrum_orbital_3/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl
new file mode 100644
index 000000000..1d53bc605
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/compute_power_spectrum_orbital_4.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/06-compute_power_spectrum_orbital_4/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl
new file mode 100644
index 000000000..6ddd9ffa1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/compute_power_spectrum_orbital_5.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/07-compute_power_spectrum_orbital_5/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl
new file mode 100644
index 000000000..944f99013
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/compute_power_spectrum_orbital_6.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_5/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/02-power-spectrum-decomposition/08-compute_power_spectrum_orbital_6/power_spectrum.npy
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..ad843a20a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/03-orbital-1/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..d8393f636
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/04-orbital-2/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..a9b74ae04
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/05-orbital-3/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl
new file mode 100644
index 000000000..0d0275eb8
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/06-orbital-4/01-dft_n-1/dft_n-1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..dfcd30f15
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..a4dbcb14c
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..84947810a
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/07-orbital-5/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl
new file mode 100644
index 000000000..14ec4c5a5
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/01-dft_n+1_dummy/dft_n+1_dummy_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl
new file mode 100644
index 000000000..fccfe63e0
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/02-pz_print/pz_print_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl
new file mode 100644
index 000000000..edb1cfaa1
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/02-calculate-screening-via-dscf/01-iteration-1/08-orbital-6/03-dft_n+1/dft_n+1_metadata.json
diff --git a/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl
new file mode 100644
index 000000000..32d8d1a72
Binary files /dev/null and b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final.pkl differ
diff --git a/tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final_metadata.json b/tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final_metadata.json
similarity index 100%
rename from tests/benchmarks/tutorials/tutorial_5/04-advanced-testing/ab_initio/snapshot_9/01-koopmans-dscf/03-ki_final/ki_final_metadata.json
rename to tests/benchmarks/tutorials/tutorial_5/test_train/01-train/05-koopmans-dscf-snapshot-5-of-5/03-ki_final/ki_final_metadata.json
diff --git a/tests/helpers/patches/__init__.py b/tests/helpers/patches/__init__.py
index 06c7bfa63..6bc667c53 100644
--- a/tests/helpers/patches/__init__.py
+++ b/tests/helpers/patches/__init__.py
@@ -17,7 +17,7 @@ def path_eq(self, other):
             # In some cases we store paths relative to a base directory. Without knowing
             # the base directory, the best we can do is check that the relative path
             # ends the same as the absolute path
-            return str(self).endswith(str(other)) or str(other).endswith(str(self))
+            return str(self.resolve()).endswith(str(other)) or str(other).endswith(str(self))
     monkeypatch.setattr('pathlib.Path.__eq__', path_eq)
 
 
diff --git a/tests/helpers/patches/_benchmark.py b/tests/helpers/patches/_benchmark.py
index 0f294ee26..e801dd89d 100644
--- a/tests/helpers/patches/_benchmark.py
+++ b/tests/helpers/patches/_benchmark.py
@@ -10,7 +10,6 @@
                                   ProjwfcCalculator, PW2WannierCalculator,
                                   PWCalculator, Wann2KCCalculator,
                                   Wann2KCPCalculator, Wannier90Calculator)
-from koopmans.files import FilePointer
 from koopmans.io import write_pkl
 from koopmans.processes.bin2xml import Bin2XMLProcess
 from koopmans.processes.koopmans_cp import (ConvertFilesFromSpin1To2,
@@ -35,13 +34,18 @@ def _calculate(self):
         # Run the calculation
         unpatched_calculate(self)
 
-        # Store the calculator as a pickle file to use as a benchmark
+        # Store the calculator as a pickle file to use as a benchmark, Temporary wiping the parent attribute so that
+        # the entire workflow doesn't get pickled
         self.results.pop('walltime', None)
         filename = benchmark_filename(self)
         if not filename.parent.exists():
             filename.parent.mkdir(parents=True)
-        write_pkl(self, filename.name)
-        shutil.move(filename.name, filename)
+
+        self.parent, parent = None, self.parent
+        self.linked_files, linked_files = [], self.linked_files
+        write_pkl(self, filename)
+        self.parent = parent
+        self.linked_files = linked_files
 
         # After running the calculation, make a new list of the files, and then work out which files have been
         # modified by the calculation
@@ -83,15 +87,31 @@ def _run(self):
         filename = benchmark_filename(self)
         if not filename.parent.exists():
             filename.parent.mkdir(parents=True)
-        write_pkl(self, filename.name)
-        shutil.move(filename.name, filename)
+        # Temporarily wipe the parent attribute so that the entire workflow doesn't get pickled
+        self.parent, parent = None, self.parent
+        write_pkl(self, filename)
+        self.parent = parent
 
         # Copy over all files that are outputs of the process that need to be read
-        for filepointer in recursively_find_files([o for _, o in self.outputs]):
-            if filepointer.name in ['power_spectrum.npy']:
-                shutil.copy(filepointer, benchmark_filename(self).parent / filepointer.name)
+        for filepath in recursively_find_files([o for _, o in self.outputs]):
+            if filepath.name in ['power_spectrum.npy']:
+                shutil.copy(filepath, benchmark_filename(self).parent / filepath.name)
+
+    # Patching the absolute_directory property
+    unpatched_absolute_directory = p.absolute_directory
+
+    def absolute_directory(self) -> Path:
+        if self.parent is None:
+            # Because we wipe parents when storing benchmarks (see above), this prevents us from being able to construct
+            # an absolute directory to locate files. Usually, this would raise an error. For the purposes of the test suite,
+            # instead simply use the base directory of the repo
+            return Path().resolve().relative_to(Path(__file__).parents[3])
+        else:
+            # Default behavior
+            return unpatched_absolute_directory.__get__(self)
 
     monkeypatch.setattr(p, '_run', _run)
+    monkeypatch.setattr(p, 'absolute_directory', property(absolute_directory))
 
 
 def monkeypatch_bench(monkeypatch):
diff --git a/tests/helpers/patches/_mock.py b/tests/helpers/patches/_mock.py
index e209c7c01..5964db700 100644
--- a/tests/helpers/patches/_mock.py
+++ b/tests/helpers/patches/_mock.py
@@ -9,7 +9,7 @@
 
 from koopmans.files import FilePointer
 from koopmans.io import read_pkl
-from koopmans.utils import chdir, symlink
+from koopmans.utils import chdir, symlink, warn
 
 from ._utils import (benchmark_filename, metadata_filename,
                      recursively_find_files)
@@ -31,7 +31,7 @@ def mock_calculator__calculate(self):
     with chdir(self.directory):
         # By moving into the directory where the calculation was run, we ensure when we read in the settings that
         # paths are interpreted relative to this particular working directory
-        calc = read_pkl(benchmark_filename(self).with_suffix('.pkl'))
+        calc = read_pkl(benchmark_filename(self))
 
     # Compare the settings
     for key in set(list(self.parameters.keys()) + list(calc.parameters.keys())):
@@ -87,7 +87,8 @@ def mock_calculator__calculate(self):
                     continue
 
                 # Find the actual upf file and symlink it (so that we can read its contents if need be)
-                [upf_file] = [x for x in (self.directory / 'pseudopotentials').glob(filename)]
+                [upf_file] = [os.path.relpath(x, directory)
+                              for x in (self.directory / 'pseudopotentials').glob(filename)]
 
                 with chdir(directory):
                     symlink(upf_file, filename)
@@ -134,8 +135,9 @@ def mock_process_run(self):
 
     for f in recursively_find_files([o for _, o in self.outputs]):
         if f.name in ['power_spectrum.npy']:
-            assert (benchmark_filename(self).parent / f.name).exists()
-            shutil.copy(benchmark_filename(self).parent / f.name, f)
+            src = benchmark_filename(self).parent / f.name
+            assert src.exists()
+            shutil.copy(src, f.name)
         else:
             write_mock_file(f, self.name)
 
diff --git a/tests/helpers/patches/_utils.py b/tests/helpers/patches/_utils.py
index ddc2f296f..b457c1eda 100644
--- a/tests/helpers/patches/_utils.py
+++ b/tests/helpers/patches/_utils.py
@@ -1,3 +1,4 @@
+import inspect
 import os
 from pathlib import Path
 from typing import Set, Tuple
@@ -5,18 +6,40 @@
 from koopmans.files import FilePointer
 
 
+def find_test_function_name():
+    # Traverse the stack to locate the test function frame
+    for frame_info in reversed(inspect.stack()):
+        # Get the module where the frame was defined
+        module = inspect.getmodule(frame_info.frame)
+        if module and frame_info.function.startswith('test_'):
+            # Return the test function name and module path
+            return frame_info.function, Path(frame_info.filename)
+    raise ValueError('Could not find test function in the stack')
+
+
 def benchmark_filename(obj) -> Path:
     base_directory = Path(__file__).parents[3]
     benchmark_dir = base_directory / 'tests' / 'benchmarks'
-    assert obj.directory is not None
-    abs_obj_directory = obj.directory.resolve()
-    if base_directory / 'tests' / 'tmp' in abs_obj_directory.parents:
-        parent = base_directory / 'tests' / 'tmp'
-    else:
-        parent = base_directory
+    tests_dir = base_directory / 'tests'
     name = getattr(obj, 'prefix', getattr(obj, 'name', None))
     assert isinstance(name, str)
-    benchmark_name = abs_obj_directory.relative_to(parent) / name
+    if tests_dir / 'tmp' in obj.absolute_directory.parents:
+        benchmark_name = obj.absolute_directory.relative_to(tests_dir / 'tmp') / name
+    else:
+        # This is a tutorial test, which we run in the tutorials directory. Because of this, we don't have access
+        # to the tmp_path automatically generated by pytest, so we need to construct something similar
+
+        # To do so, find the top-level function that contains this test
+        test_function, test_file = find_test_function_name()
+
+        # Check that the file that we found is in the tests directory
+        assert tests_dir in test_file.parents
+        relative_test_file = test_file.relative_to(tests_dir)
+        tutorial_dir = relative_test_file.with_name(relative_test_file.stem.replace('test_', ''))
+
+        benchmark_name = tutorial_dir / test_function / \
+            obj.absolute_directory.relative_to(base_directory / tutorial_dir) / name
+
     return benchmark_dir / benchmark_name.with_suffix('.pkl')
 
 
diff --git a/tutorials/tutorial_2/wannierize.py b/tutorials/tutorial_2/wannierize.py
index 8f578c0a0..c1e4f4afc 100644
--- a/tutorials/tutorial_2/wannierize.py
+++ b/tutorials/tutorial_2/wannierize.py
@@ -1,14 +1,14 @@
+import shutil
+
 from koopmans.io import read
 from koopmans.utils import chdir
 
 for grid_size in [2, 4, 8]:
-
-    # Read in the input file
+    # Read the input file
     wf = read('si.json')
 
     # Modify the kgrid
     wf.kpoints.grid = [grid_size, grid_size, grid_size]
 
-    # Run the workflow in a subdirectory
-    with chdir('{0}x{0}x{0}'.format(grid_size)):
-        wf.run()
+    # Run the workflow
+    wf.run(subdirectory='{0}x{0}x{0}'.format(grid_size))
diff --git a/tutorials/tutorial_5/04-advanced-testing/train_and_verify.py b/tutorials/tutorial_5/04-advanced-testing/train_and_verify.py
index 97bd392fd..08506cce6 100644
--- a/tutorials/tutorial_5/04-advanced-testing/train_and_verify.py
+++ b/tutorials/tutorial_5/04-advanced-testing/train_and_verify.py
@@ -46,21 +46,19 @@
     eigenvalue_errors = []
 
     # Run the initialization workflow (which we don't want to repeat for each model)
-    init_wf = InitializationWorkflow.fromparent(ab_initio_wf)
+    init_wf = InitializationWorkflow.from_other(ab_initio_wf)
     init_wf.bands = copy.deepcopy(ab_initio_wf.bands)
-    init_wf.parent = None
     init_wf.ml.train = False
     init_wf.run(subdirectory=f'ml/snapshot_{i_snapshot + 1}/init')
     descriptors = [b.power_spectrum for b in init_wf.bands.to_solve]
 
     for i_train, model in enumerate(models):
         # Create a Koopmans DSCF workflow, linking the outputs of the initialization workflow
-        ml_wf = KoopmansDSCFWorkflow.fromparent(ab_initio_wf,
+        ml_wf = KoopmansDSCFWorkflow.from_other(ab_initio_wf,
                                                 initial_variational_orbital_files=init_wf.outputs.variational_orbital_files,
                                                 previous_cp_calc=init_wf.outputs.final_calc,
                                                 precomputed_descriptors=descriptors)
         ml_wf.bands = copy.deepcopy(ab_initio_wf.bands)
-        ml_wf.parent = None
 
         # Attach the model that we want to test to the workflow
         ml_wf.ml_model = model