[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
>
---------------------------------------------------------------------
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
More information about the users
mailing list