[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 mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

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