[Pw_forum] Fermi Energy

Javad hashemifar jhashemifar at gmail.com
Sat May 5 20:48:52 CEST 2007

Dear pwscf users,

During partial DOS calculation for a metallic compound I found a
difference of about 0.7 eV between the Fermi energies obtained by scf
and nscf calculations. Although the origin of this difference is not
clear to me but I guess the one that is obtained by nscf should be
considered for DOS plotting. Your kind advises in this regard is
highly appreciated.

thanks in advance
Javad Hashemifar
University of Duisburg

Seyed Javad  Hashemifar,    Ph.D.
Tel:+49-203-3794743        Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran

More information about the users mailing list