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dft_tools/python/vasp
Oleg E. Peil 99713edbc4 Fixed band selection indices for projectors
There was an inconsistency in the convention on the position of the
subarray corresponding to projectors within the selected window.
In some cases the subarray was defined from 0 to ib_max, in other cases
it was from 'ib1 - ib_min' to 'ib2 - ib_min'.
Now the global convention is that the projectors for a given window
are stored in a slice '0:ib_max', where 'ib_max = ib2 - ib1 + 1'.
2015-10-20 17:37:17 +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 band selection indices for projectors 2015-10-20 17:37:17 +02:00
vaspio.py Added a format check for EIGENVAL to vaspio.py 2015-10-16 11:59:02 +02:00