[Pw_forum] Smearing Problem

[robert.guzman]

Excuseme.
On my experience I prefer to use smearing gaussian because this smearing 
is more stable than the others when the density of states have a height 
structure, for example peaks of density of states near the fermi level. 
This smearing needs a good density of k points but is stable. In the 
case when the density of states have a slow structure (flat density of 
states) is better to use the smearing mp or mv.
It is only my oppinion.
Best Regards!
Mg. R.M. Guzman Arellano.
Instituto Balseiro - Argentina

PSD: Excuse me my weak english.

On 2015-07-08 04:58, Elham wrote:
> Hi Dear experts pwscf
> 
> I have  questions about this topic.
> 
> Prof. Nicola two solution suggested. For every solution for every
> calculation must be relaxed or scf calculation?
> 
> This is so long calculation for big system for determine best smearing.
> 
> another Question about (-TS) is must be zero?
> 
> Which of them is Best smearing tag for calculation (Gaussian or mv or 
> mp or
> fd)?
> 
> Thanks so much
> 
> Elham
> 
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