[Pw_forum] too few bands or 'charge is wrong

[Eyvaz Isaev]

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