[Pw_forum] scf and nscf and smearing

[Eyvaz Isaev]

Hi,

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
calculations. 

Bests,
Eyvaz. 

--- "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
> to
> include  it and the same other parameters such as
> degause in the following nscf calculations as we do
> in
> the scf calculation?
> 
> thanks
> 
> 
> 
> 
> 		
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