GGA psudopentent problems of the atom?
Posted: Thu Apr 19, 2007 6:55 am
Hi, I encountered a problem that the optimized lattice constant of SrO bulk is smaller than experimental value using GGA potential. I checked all Sr GGA potential (GGA and PAWGGA)in VASP potental database for this calculation, but the result is the same. Is it the problem from Sr GGA potential?
Thanks.
Thanks.