[Pw_forum] Efermi error?

Nicola Marzari marzari at MIT.EDU
Sat Oct 23 21:09:58 CEST 2004

Dear Ravinder,

Chap 4 of my PhD ( http://nnn.mit.edu/phd/ ) has a fairly detailied
description of all these various issues. It might also help
to understand how negative occupations arise when using e.g.
Methfessel-Paxton smearing (I believe Ruijuan Xiao was asking
about negative occupations).



Ravinder Abrol wrote:
> Dear Dr. Giannozzi,
> Thanks very much for the suggestion. It worked. Is there a 
> place/reference where
> I can read more about this?
> Thanks,
> Ravi
Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758  fax 617.2586534  marzari at mit.edu  http://nnn.mit.edu

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