3
0
mirror of https://github.com/triqs/dft_tools synced 2024-06-22 05:02:20 +02:00
dft_tools/python
Oleg E. Peil 41b3b63744 Modified input of eigenvalues and Fermi weights
In the new version of VASP LOCPROJ contains the eigenvalues and
Fermi weights. Also, during a charge self-consistency calculation
the file EIGENVAL is not written at intermediate iterations. It is,
thus, preferential to use LOCPROJ to get the named data.
At the moment, EIGENVAL will still be used if it is complete but
in the future this dependence should be removed completely.
2015-12-11 10:54:51 +01:00
..
converters Modified input of eigenvalues and Fermi weights 2015-12-11 10:54:51 +01:00
__init__.py Moved U_matrix to TRIQS library 2015-06-17 18:19:30 +02:00
.gitignore Reshuffled some files, added .gitignore 2015-10-21 11:54:22 +02:00
clear_h5_output.py Fix subgroup name in clear_h5_output.py 2015-03-12 11:01:02 +01:00
CMakeLists.txt Clean CMakeLists.txt 2013-08-07 16:30:09 +02:00
sumk_dft_tools.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
sumk_dft.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
symmetry.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
trans_basis.py [doc] New documentation 2015-04-21 14:31:15 +02:00
update_archive.py Unify notation in sumk_dft_tools. 2015-01-22 10:47:53 +01:00