On Mon, 2013-01-07 at 03:37 +0000, Shamsu Abubakar wrote: > I'm not much sure whether this combinations can work perfectly or not, > because the exchange-correlation functional are the same,but different > pseudopotentials name.
this is explained in the FAQ, in the pseudopotential pages of the web site, ... By the way, different "names" correspond to different approaches. Nothing will work "perfectly" if you do not know the inngredients you are usung and why P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
