[Pw_forum] Fermi energy in DOS calculation

Paolo Giannozzi giannozz at democritos.it
Mon Aug 29 21:32:15 CEST 2011


On Aug 26, 2011, at 6:08 , Tram Bui wrote:

> In DOS calculation, one will obtain a Fermi energy value. And my  
> guess is
> that it is taken with respect to the bottom of the valence band.

the Fermi energy is taken on the same energy scale as for Kohn-Sham
eigenvalues

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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