mirror of
https://github.com/triqs/dft_tools
synced 2024-06-29 00:15:00 +02:00
0a71b29096
Default behavior unchanged. If parameter kpts_to_write is given and if dm_type=='vasp', only the selected k points are written to the density correction GAMMA file. Can be used for running Vasp with symmetries, where Vasp requires only the density correction from the irreducible Brillouin zone. * For density correction in vasp, added option to select kpoints * Made docstring of calc_density_correction clearer |
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| .. | ||
| converters | ||
| __init__.py | ||
| block_structure.py | ||
| clear_h5_output.py | ||
| CMakeLists.txt | ||
| sumk_dft_tools.py | ||
| sumk_dft.py | ||
| symmetry.py | ||
| trans_basis.py | ||
| update_archive.py | ||
| version.py.in | ||