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
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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