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mirror of https://github.com/triqs/dft_tools synced 2024-07-04 18:36:05 +02:00
dft_tools/python/vasp
Oleg E. Peil 9258054057 Added an example on LuNiO3
The example allows one to get an idea of how to define projectors
in case of a complex system with several atoms per unit cell.
2015-11-20 18:08:14 +01:00
..
examples Added an example on LuNiO3 2015-11-20 18:08:14 +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 transformation of projectors 2015-11-20 16:58:36 +01:00
proj_group.py Removed a redundant dependency of ProjectorGroup on 'ferw' 2015-11-19 16:01:05 +01:00
proj_shell.py Added transformation of projectors 2015-11-20 16:58:36 +01:00
vaspio.py Added orbital labels to 'proj_params' 2015-11-10 15:32:15 +01:00