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dft_tools/python
merkelm 0a71b29096
Added parameter kpts_to_write to SumkDFT.calc_density_correction (#170)
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
2021-05-05 11:55:40 -04:00
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triqs_dft_tools Added parameter kpts_to_write to SumkDFT.calc_density_correction (#170) 2021-05-05 11:55:40 -04:00