Activate "min_lapw" in optimize.job. Bo Qiu schrieb: > Dear Users and Developlers, > > Just want to ask whether if we can optimize the lattice constants and > the internal coordinates simultaneously using Wien2k? Thanks a lot! > > Sincerely, > > Bo > > > ------------------------------------------------------------------------ > > _______________________________________________ > 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/ --------------------------------------------------------------------------