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32 Open 72 Closed
32 Open 72 Closed
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Issues list

Parsing arbitray k-points for final Wannier interpolation
#232 opened Dec 9, 2024 by Koulb
Non-intuitive behavior when the number of Wannier functions is different for the two spin channels
#231 opened Nov 28, 2024 by elinscott
The defoult choice between open vs periodic boundary condition should not depend on the calculate_alpha keyword
#229 opened Oct 3, 2024 by nscolonna
KIPZ with a guess value of alpha not running the minimization in the final scf calculation
#228 opened Sep 23, 2024 by nscolonna
@nscolonna
Unintuitive behavior of SettingsDict
#222 opened May 23, 2024 by GeigerJ2
2
Error when running koopmans from within a directory that is a symlink
#214 opened Nov 28, 2023 by similt
9
Add submodules to releases
#207 opened Jul 25, 2023 by elinscott
pw2wannier90 fails if too many tasks enhancement New feature or request
#196 opened Feb 22, 2023 by nscolonna
@elinscott @degennar @nscolonna
3
diago_full_acc should be True for NSCF calculations
#193 opened Nov 23, 2022 by elinscott
More helpful error message when trying to run koopmans with mpirun
#190 opened Oct 13, 2022 by elinscott
Make the kcw syntax clearer
#183 opened Sep 15, 2022 by elinscott
@elinscott
Reducing volatile and non-volatile memory usage of kcp long-term
#163 opened Jul 15, 2022 by degennar
@elinscott @degennar @nscolonna
3
Make run_calculator obselete in preference of a modified Calculator.run() enhancement New feature or request long-term
#160 opened Jul 13, 2022 by elinscott
@elinscott
Add documentation of the python Workflow classes to the docs using autodoc documentation Improvements or additions to documentation
#147 opened May 31, 2022 by elinscott
@elinscott
Parse projectability emp/occ from KCP medium-term
#141 opened May 6, 2022 by degennar
@elinscott @degennar @nscolonna
g-vector reordering for strange cells long-term
#139 opened May 2, 2022 by elinscott
@elinscott @degennar @nscolonna
Possibility to have PZ orbitals starting from Wannier functions enhancement New feature or request medium-term
#134 opened Apr 7, 2022 by degennar
@elinscott @degennar
Wannierization with SCDM method (need for projwfc.x) enhancement New feature or request
#121 opened Feb 9, 2022 by degennar
@degennar
Make w90 subblocks more flexible enhancement New feature or request medium-term
#120 opened Feb 7, 2022 by elinscott
@elinscott
Consistency of Hamiltonians in smooth interpolation method short-term
#100 opened Dec 16, 2021 by degennar
@degennar
Support anisotropic permittivity enhancement New feature or request medium-term
#84 opened Nov 23, 2021 by elinscott
@elinscott @degennar
Uniform IO wavefunction files enhancement New feature or request short-term
#81 opened Nov 18, 2021 by degennar
@degennar
Check support for DFT+U enhancement New feature or request medium-term
#77 opened Nov 10, 2021 by elinscott
@elinscott
Automate versioning enhancement New feature or request long-term
#62 opened Aug 24, 2021 by elinscott
@elinscott
Spin contamination in PW calculations enhancement New feature or request medium-term
#43 opened May 31, 2021 by elinscott
@elinscott
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