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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converters	Revision of Wannier90Converter: 1) write the Hamiltonian in Bloch space	2021-02-05 14:41:59 -05:00
__init__.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
block_structure.py	Merge branch 'unstable' into py3	2020-06-23 10:53:52 +02:00
clear_h5_output.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
CMakeLists.txt	Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable	2021-02-03 11:03:08 -05:00
sumk_dft_tools.py	removed unused debug print commands	2020-10-12 07:52:19 -04:00
sumk_dft.py	Added parameter kpts_to_write to SumkDFT.calc_density_correction (#170)	2021-05-05 11:55:40 -04:00
symmetry.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
trans_basis.py	Merge branch 'unstable' into py3	2020-06-23 10:53:52 +02:00
update_archive.py	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00
version.py.in	synchronize dfttools with app4triqs structure	2020-06-10 17:45:53 +02:00