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mirror of https://github.com/triqs/dft_tools synced 2024-11-15 02:23:49 +01:00
dft_tools/python/vasp
Oleg E. Peil 54b9857aa5 Added density and overlap matrix output ot ElStruct
The new method in ElectronicStructure allows one to output
denisty and overlap matrices originating from the raw projectors
read from PROJCAR (LOCPROJ). This output is mainly intended for debug purposes.
2015-10-16 16:27:49 +02:00
..
examples/simple Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
test Added a format check for EIGENVAL to vaspio.py 2015-10-16 11:59:02 +02:00
.gitignore Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
elstruct.py Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
inpconf.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
main.py Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
plotools.py Modified ProjectedShell to conform to new projectors 2015-10-15 13:26:48 +02:00
vaspio.py Added a format check for EIGENVAL to vaspio.py 2015-10-16 11:59:02 +02:00