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