[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.
[current:]
Tel:+49-203-3794743 Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel: +98-311-3912375 Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
---------------------------------------------------------------------------
More information about the users
mailing list