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dft_tools/python/triqs_dft_tools
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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
..
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