[Pw_forum] Which Fermi level is right?

[lan haiping]

Thank you for clarification of my understanding.
Regards,
H.P

On 7/17/07, Nicola Marzari <marzari at mit.edu> wrote:
>
>
>
> Dear All,
>
> an additional comment here - all smearing schemes will converge
> to the same identical result in the limit of zero smearing/temperature,
> and accurate sampling.
>
> The tetrahedron method is not a smearing scheme, but again all correct
> calculations hsould converge to the same value.
>
> This has been often repeated, but it is worthwhile testing all
> of this on one's own, to figure out what is really happening.
>
>                         nicola
>
>
>
>
> lan haiping wrote:
> > Dear  George,
> > I am not familiar with all these smearing scheme, and just try to
> > explain as far as i know.
> > When we do calculation with "smearing",  fractional occupations are
> allowed.
> > For different smearing scheme, the occupation functions are defined
> > differently.
> > So, it should be nonsense to discuss the absolute  values of fermi
> > energy obtained from different smearing schemes.
>
> --
> ---------------------------------------------------------------------
> Prof Nicola Marzari   Department of Materials Science and Engineering
> 13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
> tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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