Dear Dimpy, --- On Sun, 12/20/09, Dimpy Sharma <dimpy.sharma at tyndall.ie> wrote:
> > too few bands or 'charge is wrong > You can just simply do not specify "nbnd" allowing the code to take it by default. If this does not help, use more nbnd's, say 30-40%, not 20%, additional bands. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com