Yes, it could be useful, although probably one would still have to edit it and
make certain selections in a general case.
It should take into account the element and decide from that whether an s,p,d
(or f)
DOS is most likely interesting + the corresponding symmetry decomposition.
Eg. for carbon
Dear Prof Blaha,
I would like to write a shell for configuration of
case.int file.
you think, it will be useful for WIEN2k package.
Your's
Morteza Jamal
Be a better friend, newshound, and
know-it-all wit
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