Oleg E. Peil 2b71180e8e Added calculation of DOS to plotools.py ...

Added a function that allows one to get the non-interacting projected DOS for
newly generated projectors. The DOS is calculated with analytical tetrahedron
integration added previously.
At the moment, the DOS is generated and output for debugging purposes
after the projectors are generated. Eventually, there should be an
option in the input config file requesting the output of DOS for a given
energy mesh.

2015-10-22 16:15:49 +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

Added calculation of DOS to plotools.py

2015-10-22 16:15:49 +02:00

vaspio.py

Added a format check for EIGENVAL to vaspio.py

2015-10-16 11:59:02 +02:00