[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).

Best,

			nicola



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
>
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Prof Nicola Marzari   Department of Materials Science and Engineering
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