[Pw_forum] scf and nscf and smearing
eyvaz_isaev at yahoo.com
Tue Dec 28 11:24:58 CET 2004
May be I am wrong, but I suggest, yes. Otherwise, your
system is considered as a semiconductor.
Though, it is not required for band structure
--- "W. YU" <yuwen_66 at yahoo.com> wrote:
> Dear PW users,
> For metal system, in scf calculation, it is required
> to use occupation='smearing'. Do we still required
> include it and the same other parameters such as
> degause in the following nscf calculations as we do
> the scf calculation?
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