init_lapw will determine the symmetry by itself and will find out that you do not have inversion symmetry. No need to worry.
Am 27.10.2010 09:12, schrieb Bin Shao: > Dear all, > > I intend to initialize a complex calculation by using init_lapw, but I have > no idea how to make it for the information in init_lapw -h do not mention > option about complex > calculation (e.g. -c), or I just need to initialize a normal calculation and > then copy the case.in <http://case.in>* files into case.in <http://case.in>*c? > > Thank you in advance! > > Best regards, > > -- > Bin Shao, Ph.D. Candidate > College of Information Technical Science, Nankai University > 94 Weijin Rd. Nankai Dist. Tianjin 300071, China > Email: binshao1118 at gmail.com <mailto:binshao1118 at gmail.com> > > > > _______________________________________________ > 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/ --------------------------------------------------------------------------