[Pw_forum] different k point in scf and nscf

xirainbow nkxirainbow at gmail.com
Sat Jul 24 09:06:01 CEST 2010


Dear Amene Nouri :

      Do you mean that in nscf step the calculation starts fom the density
> obtained in scf step and the eigenvalues are calculated just in one
> iteration?
>
Yes, I think so.

____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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