[Pw_forum] a question about nbnd setting in band structure calculation
peterwiney at gmail.com
Fri May 11 00:21:57 CEST 2007
I had a little trouble with band calculation for a metallic material, so I
When I run the "bands" calculation for Al, I found that the results depend
on the setting
of "nbnd". I tried nbnd=8 (the value used in the example) and nbnd=10. The
the Fermi level are the same in both cases, however, some of the empty bands
I am puzzled by this. Is there any physics that I missed?
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