Oleg E. Peil 8a71cbe6b0 Fixed bugs related to indices ib_min, ib_max ...

There was a mess with indices 'ib_min', 'ib_max' indicating the
selected window. First of all their old names 'nb_min', 'nb_max' were
confusing and because of that they were sometimes incorrectly used as
the maximum size of the window and sometimes as a maximum band index.
Now the convention is more clear: 'ib_min', 'ib_max' correspond to the
minimum/maximum band indices (in terms of original VASP indices) and
'nb_max == ib_max - ib_min + 1' is the maximum number of bands within
the window.

2015-10-20 12:36:57 +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

Fixed bugs related to indices ib_min, ib_max

2015-10-20 12:36:57 +02:00

vaspio.py

Added a format check for EIGENVAL to vaspio.py

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