Dear Dr. Blaha, I did not understand the hint... SG
-----Original Message----- From: [email protected] [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Peter Blaha Sent: Tuesday, April 05, 2011 6:25 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] Suggestions on Size of SuperCell for phonon Calculations 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/ -------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
