[Pw_forum] 'degauss' & 'smearing'
stefano de gironcoli
degironc at sissa.it
Fri Dec 27 16:49:27 CET 2013
hi ehsan targholi,
check a few papers on the subject, for instance those quoted in the
input data description
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html
'methfessel-paxton', 'm-p', 'mp':
Methfessel-Paxton first-order spreading
(see PRB 40, 3616 (1989)).
'marzari-vanderbilt', 'cold', 'm-v', 'mv':
Marzari-Vanderbilt cold smearing
(see PRL 82, 3296 (1999))
things should be clearer then
in your next posts please provide your affiliation
best
stefano
---
Stefano de Gironcoli - SISSA & DEMOCRITOS
On 12/19/2013 10:11 PM, ehsan targholi wrote:
> hi
> Dear all
> i have a question
> please explain about 'degauss' & 'smearing'
> is it any book or other Document to explain this items ?
>
>
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> Pw_forum at pwscf.org
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