In addition, I would use the mBJ potential, which gives much better gaps than EV93, which is obsolete now.
But for mBJ you have to upgrade to the latest version .... Am 14.03.2011 11:50, schrieb tran at theochem.tuwien.ac.at: > Hello, > > In order to use the EV93 functional, you have to choose the number 15 > in case.in0. The correlation part is GGA-PW91. > > On Mon, 14 Mar 2011, Iman Evazzade wrote: > >> Hello >> >> >> I use WIEN2k-09 and I don't know how to apply Engel-Vosko scheme for >> electronic properties. I've been searching for a way to use it on the >> internet, but unfortunately I couldn't find anything applicable. Would you >> mind to tell me how I can apply Engel-Vosho (EV)? Am I supposed to use a new >> version of WIEN2k? >> >> >> -- >> Best Wishes >> Iman Evazzade, >> Master of Science Student, >> Faculty of Science, >> Ferdowsi University of Mashhad, >> Mashhad-Iran. >> Email: i.evazzade at yahoo.com >> > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------
