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dft_tools/python/converters/plovasp
Oleg E. Peil e8dff08fcf Added a possibility to read EFERMI from LOCPROJ
Noramlly, the Fermi energy is read from DOSCAR. However, this does
not work in case of a self-consistent calculation in which DOSCAR
is not written between iterations. One of the options is
to modify slightly the output to LOCPROJ and add EFERMI to the
first line.
2015-12-18 17:45:12 +01:00
..
examples Fixed some files in examples 2015-12-01 13:24:58 +01:00
test Replaced R- and C-TRANSFORM with TRANSFORM option 2015-11-30 20:24:34 +01:00
__init__.py Modified main routine to make it importable 2015-12-16 16:02:12 +01:00
.gitignore Moved PLOVasp files to converters/plovasp 2015-11-27 10:48:15 +01:00
elstruct.py Added a possibility to read EFERMI from LOCPROJ 2015-12-18 17:45:12 +01:00
inpconf.py Replaced R- and C-TRANSFORM with TRANSFORM option 2015-11-30 20:24:34 +01:00
main.py Modified main routine to make it importable 2015-12-16 16:02:12 +01:00
plotools.py Improved output of the density matrix 2015-12-09 11:55:29 +01:00
proj_group.py Moved PLOVasp files to converters/plovasp 2015-11-27 10:48:15 +01:00
proj_shell.py Renamed module 'c/vasp' to 'c/plovasp' 2015-11-27 10:52:07 +01:00
vaspio.py Added a possibility to read EFERMI from LOCPROJ 2015-12-18 17:45:12 +01:00