3
0
mirror of https://github.com/triqs/dft_tools synced 2024-07-08 20:33:54 +02:00
dft_tools/python/vasp
Oleg E. Peil be21838e30 Modified ProjectedShell to conform to new projectors
The new projector input requires a different approach of selecting
the projectors for each shell. Specifically, for each site/orbital
index defined for a given shell one has to look for the corresponding
input projector (from PROJCAR).

Also, small fixes were required to make 'ferw' array index order
consistent with what is expected in ProjectorShell. This order might
eventually be modified.
2015-10-15 13:26:48 +02:00
..
examples/simple Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
test Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
.gitignore Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
elstruct.py Modified ProjectedShell to conform to new projectors 2015-10-15 13:26:48 +02:00
inpconf.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
main.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
plotools.py Modified ProjectedShell to conform to new projectors 2015-10-15 13:26:48 +02:00
vaspio.py Renamed 'params' to 'proj_params' in class Plocar 2015-10-14 17:44:01 +02:00