2.0.2

Bug fix

• Typos and missing files in the documentation
• Bug in parsing knode option
• Bug in loading self-energy in TRIQS 1.4 environment created in TRIQS 2.x environment.

2.0.1

Bug fix

• Fixed a possible speed-down or abend related to HDF5 library.

Change

• A(k,w) calculation is supported in lattice=external.

2.0.0

DCore version 2.0.0 is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package based on TRIQS, ALPSCore with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

To install DCore, please download the source files from Github. For more details, please see the installation guide.

New features

• Added new solvers: ALPS/cthyb-seg, pomerol, and null (for non-interacting limit).
• Introduced an initial guess for the self-energy.
• Introduced local potential (e.g., magnetic field).
• Introduced an initial magnetic moment (for magnetic solution).
• Improved how to check convergence (dcore_check).
• Implemented equivalent shells.

Changes

• [important] Changed how to run MPI.
• Introduced [MPI] block in input parameters to specify a MPI command.
• Introduced a parameter T in [system] block to specify beta=1/T.
• Moved the parameter nk, nk0, nk1, nk2 to [model] section.
• Output data structure improved (data are output in a separated directory).
• Added more examples in the directory "examples"

Further information

• Documentation: https://issp-center-dev.github.io/DCore/index.html
• Known issues: https://github.com/issp-center-dev/DCore/issues

2.0.0_b

DCore version 2.0.0 beta is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package based on TRIQS, ALPSCore with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

To install DCore, please download the source files from Github. For more details, please see the installation guide.

New features

• Added new solvers: ALPS/cthyb-seg, pomerol, and null (for non-interacting limit).
• Introduced an initial guess for the self-energy.
• Introduced local potential (e.g., magnetic field).
• Introduced an initial magnetic moment (for magnetic solution).
• Improved how to check convergence (dcore_check).
• Implemented equivalent shells.

Changes

• [important] Changed how to run MPI.
• Introduced [MPI] block in input parameters to specify a MPI command.
• Moved the parameter nk, nk0, nk1, nk2 to [model] section.
• Output data structure improved (data are output in a separated directory).

Further information

• Documentation: https://issp-center-dev.github.io/DCore/index.html
• Known issues: https://github.com/issp-center-dev/DCore/issues

1.1.0

DCore version 1.1.0 is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package based on TRIQS, ALPSCore with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

To install DCore, please download the source files from Github. For more details, please see the installation guide.

New features

• Add CMAKE_INSTALL_PREFIX option for cmake.
• Add time_reversal parameter

Changes

• Output band structure and DOS without Sigma.
• For colinear post process, output both up and down spin (only down spin had been output).
• Delete the parameter nnode (it is automatically determined in the dcore)

Bug fix

• U-matrix for slater interaction defined with l,U,J had a bug. The index for the correlation shell was absent.

Known issues

• Please see https://github.com/issp-center-dev/DCore/issues

For more details, please see the documentation at the following link.

Installation guide

https://issp-center-dev.github.io/DCore/install.html

Documentation

https://issp-center-dev.github.io/DCore/documentation.html

1.0.0

DCore version 1.0.0 is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package based on TRIQS, ALPSCore with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

To install DCore, please download the source files from Github. For more details, please see the installation guide.

New features

• Loading effective interaction computed by the downfolding (cRPA) from RESPACK
• Spin-orbit interaction
• Support for continuous-time QMC impurity solvers (TRIQS/cthyb or ALPSCore/CT-HYB)

Changes

• Input parameters and their default values are modified. Please see the manual.

Known issues

• Please see https://github.com/issp-center-dev/DCore/issues

For more details, please see the documentation at the following link.

Installation guide

https://issp-center-dev.github.io/DCore/install.html

Documentation

https://issp-center-dev.github.io/DCore/documentation.html

0.1

DCore version 0.1 is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package connecting TRIQS, ALPSCore, and some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

Installation is performed with GIT. For more details, please see the installation guide

The following features are included in the version 0.1

• DMFT calculation with the Hubbard-I solver (QMC solver is not tested yet)
• The Slater-type electron-electron interaction is supported.
• DMFT calculation for typical lattice structures, i.e., chain lattice, square lattice, cubic lattice, Bethe lattice can easily performed.
• Models constructed by the Wannier interpolation are supported (wannier90 format).
• DOS and k-dependent spectral function can be computed.

For more details, please see the documentation at the following link.

Installation guide

https://issp-center-dev.github.io/DCore/install.html

Documentation

https://issp-center-dev.github.io/DCore/documentation.html