[Pw_forum] positive Fermi energy

[david grifith]

 Dear Professor Giannozzi and Cyrille

 Thanks for your attentions and helps; Now I get your mean about DOS and
comparision of Fermi energies completely but yet I have not understood where
is selected as zero energy in the Bulk graphite by QE ?  or generally where
is selected as zero energy in QE calculations?


> cyrille :
>
>     Ef=7.8eV is probably the right value and therefore you can plot the DOS
> and define Ef as the new zero of energy if you wish...
>

>  Also, can one compare this Fermi energy with the Fermi energy of another
> material, or  is such comparison reliable ?
>
>   Paolo Giannozzi :
>
> no; you have to resort to some trick to align the Fermi
> energies (e.g. align the average electrostatic potential
> far from the surface, if any, or align deep levels, if any)
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-- 
Sincerely Yours
David G.
JCU
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