Thanks so much! Sincerely, Bo
On Tue, Mar 18, 2008 at 4:10 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote: > 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/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Thanks and Best Wishes. Sincerely yours, Bo Qiu http://web.ics.purdue.edu/~qiub/homepage/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080318/3013cd6b/attachment.html