Did you Open the scf output file and look for the fermi level written in it. -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Thu, Mar 11, 2010 at 9:26 AM, Elie Moujaes <elie.moujaes at hotmail.co.uk> wrote: > I ?have done the calculations using a K_PONTS automatic > ???????????????????????????????????????????????? 20 20 1? 0 0 0 > for the scf calculation and a K_POINTS automatic > ?????????????????????????????????????? 64 64 1? 0 0 0 > and I got almost the right DOS but only for -ve values of energy. Nothing > was produced for the +ve part. Is it because I need to include more points? > like trying the 128 128?1? 0 0 0 grid? N.B:?I did specify that?Emin=-7 and > Emax=7 in the inout pp file.. > > > Regards > > ELie Mouhaes > University of Nottingham > NG7 2RD > Nottingham > UK > > ________________________________ > Do you have a story that started on Hotmail? Tell us now > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
