There's no Mulliken population in WIEN2k. We have partial charges within atomic spheres instead.
Donghui Guo schrieb: > Dear all, > > Is there anyone can tell how to check/calculate Mulliken population? > I didn't find it in usersguide. > Thank you! > > Best regards, > Yours, > Donghui Guo > 2008-10-16 > > > ************************************************ > Donghui Guo > Catalysis Research Center (CRC) > Hokkaido University > 21-10 Kita, Sapporo 001-0021 > Japan > dhguo at cat.hokudai.ac.jp > TEL: +81-11-706 9114 (office) > ****************************************************** > > _______________________________________________ > 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/ --------------------------------------------------------------------------