Oleg E. Peil fa420924af Fixed a bug in 'debug_density_matrix()' ...

The on-site blocks of the large (for all orbitals) desnity matrix
were incorrectly copied for the output.

2015-11-10 12:07:13 +01:00

..

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

Fixed a bug in 'debug_density_matrix()'

2015-11-10 12:07:13 +01:00

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