Hi Install "WANT", you can find a test about graphene. Good luck Mohsen Modaresi
On 3/11/10, Duy Le <ttduyle at gmail.com> wrote: > 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 >> >> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
