Oleg E. Peil 67b78c1499 Added some debug output to plotools.py ...

Added output of density and overlap matrices to plotools.py.
If one defines a very large window (spanning all bands) one can
compare this output with the one produced by 'debug_density_matrix()'
in class ElectronicStructure.
For a small window, the overlap gives an idea of symmetry-related
degeneracies and of how strong the states are going to be renormalized
by the orthogonalization routine.

2015-10-16 18:10:48 +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 some debug output to plotools.py

2015-10-16 18:10:48 +02:00

vaspio.py

Added a format check for EIGENVAL to vaspio.py

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