[Wien] fast direct vs indirect band gap check
pavel.ondracka at email.cz
pavel.ondracka at email.cz
Mon Oct 31 10:04:08 CET 2016
Dear Wien2k mailing list,
the case.scf2 file contains the GAP value, can I find somewhere in the scf*
or output* files also the two kpoints corresponding to this gap, eg.
positions of the bottom of the conduction band and top of the valence band?
I can of course plot the band structure or go over the eigenvalues in energy
files manually (or with some script), just wondering if this information is
already printed somewhere and can be obtained in an easy way.
Best regards
Pavel Ondračka
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