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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
dft_tools/python/triqs_dft_tools/converters
the-hampel 6a893840ee use IBZ kpoint list for writing GAMMA vaspgamma.h5
* use IBZ kpoint list for writing GAMMA vaspgamma.h5
* make vaspgamma.h5 default
* write n_k_ibz into dft_misc_input so in can be used inside of sumk
* write n_k_ibz into seed.ctrl json file
* change ref h5 files for VASP tests by adding n_k_ibz
* add new svo converter test
2024-11-19 12:38:07 +01:00
..
elktools Update readElkfiles.py 2024-09-09 20:02:13 +02:00
plovasp use IBZ kpoint list for writing GAMMA vaspgamma.h5 2024-11-19 12:38:07 +01:00
__init__.py update documentation to use autosummary 2022-03-02 14:13:12 -05:00
converter_tools.py [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00
elk.py Replace numpy.lib.pad with numpy.pad 2024-06-21 12:01:14 -04:00
hk.py fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00
vasp.py use IBZ kpoint list for writing GAMMA vaspgamma.h5 2024-11-19 12:38:07 +01:00
wannier90.py read wannier centres and symmetry kpath from w90 (#253) 2024-06-03 15:00:01 -04:00
wien2k.py fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24) 2023-01-23 15:40:57 -05:00