[Pw_forum] How to show bands above fermi level in PDOS?
WF
kalamaillist at gmail.com
Sat Nov 5 11:53:28 CET 2011
Hello everyone,
I am calculating PDOS of an insulator. In the initial SCF, keyword
'nbnd' is not specified. A NSCF calculation, still without 'nbnd' keyword,
is done to get Fermi level. And in the later PDOS calculation, no band above
Fermi level is showed. If I need to show some bands above Fermi level, from
where should I restart my calculation? Is it necessary to rerun SCF with a
large 'nbnd' or there are some quicker way to do it ?
Thanks.
------------------------------------
Wu F,
College of Chemistry and Molecular Engineering,
Peking University.
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