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) > > > > > > > > > > > > > -- Sincerely Yours David G. JCU -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101024/7d59b81b/attachment.htm
