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45ed1ba0fc
dft_tools/python/converters/plovasp
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Oleg E. Peil 45ed1ba0fc Added output of local Hamiltonian 
The local Hamiltonian is now output after the density matrix.
This is mainly needed for debug purposes. At a later stage the
output should be better formatted and controlled.
2016-02-09 13:48:39 +01:00
..
examples Added an example of Ce HF calculation 2015-12-18 17:51:26 +01:00
test Replaced R- and C-TRANSFORM with TRANSFORM option 2015-11-30 20:24:34 +01:00
__init__.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
.gitignore Moved PLOVasp files to converters/plovasp 2015-11-27 10:48:15 +01:00
elstruct.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
inpconf.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
main.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
plotools.py Added output of local Hamiltonian 2016-02-09 13:48:39 +01:00
proj_group.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
proj_shell.py Added evaluation of local Hamiltonian 2016-02-09 13:40:45 +01:00
sc_dmft.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00
sc_dmft.sh Added self-consistency scripts 2016-02-01 13:44:08 +01:00
vaspio.py Added copyright disclaimers to PLOVasp sources 2016-02-01 14:06:41 +01:00