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DOS

Posted: Sun Dec 08, 2013 12:10 pm
by fatimazahra
Dear all
I used ypp to calculate DOS
Can I know gap value with correction GW from this DOS ?

Re: DOS

Posted: Sun Dec 08, 2013 3:10 pm
by Daniele Varsano
Dear Fatima,
the gap values can be seen directly from the output, or from the report, without resorting to the DOS.
Of course, also the DOS will shoe a zero density in the gap. In order to look at the GW gap, you have to see the Kohn-Sham one first (available in report) and next the GW correction corresponding to the Valence band max and conduction band min.

Cheers,

Daniele