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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 20:34:38 +01:00
dft_tools/python/vasp
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