What pseudopential should I use if i want to do meta-GGA calculation?
Posted: Tue Aug 24, 2010 9:01 pm
GGA or PBE?
By the way, is there any tag other than LMETAGGA that I need to change? I do not see any description in the manual.
Thanks!
By the way, is there any tag other than LMETAGGA that I need to change? I do not see any description in the manual.
Thanks!