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f544825684
dft_tools/python/vasp
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Oleg E. Peil f544825684 Added output of Fermi weights to output files 
Fermi weights are output next to eigenvalues. They will be needed
for the calculation of the KS density matrix in the charge
self-consistency implementation.
2015-11-19 16:06:25 +01:00
..
examples/simple Removed files accidentally added in the previous commit 2015-11-18 19:05:48 +01:00
test Removed a redundant dependency of ProjectorGroup on 'ferw' 2015-11-19 16:01:05 +01:00
.gitignore Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
elstruct.py Fixed a bug in 'debug_density_matrix()' 2015-11-10 12:07:13 +01:00
inpconf.py Replaced options EMIN, EMAX with EWINDOW 2015-11-11 18:58:38 +01:00
main.py Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
plotools.py Added output of Fermi weights to output files 2015-11-19 16:06:25 +01:00
proj_group.py Removed a redundant dependency of ProjectorGroup on 'ferw' 2015-11-19 16:01:05 +01:00
proj_shell.py Fixed a bug in the orthogonalization routine 2015-11-18 15:17:51 +01:00
vaspio.py Added orbital labels to 'proj_params' 2015-11-10 15:32:15 +01:00