When I see: "partial forces" ..... > Now, when I do > > grep ?e:FGL case_1.scf, I get the following > > :FGL054: 54.ATOM -0.144000000 -34.520000000 -0.244000000 pa > > rtial forces >
-- 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/ --------------------------------------------------------------------------