As discussed before on this list, you don't need to break inversion for that purpose.
Oleg Artamonov schrieb: > Dear Peter Blaha, > > I expect to find the spin-splitting due to spin-orbit interaction (Rashba > effect). Oleg. > > > ----- Original Message ----- > From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at> > To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at> > Sent: Friday, October 03, 2008 3:52 PM > Subject: Re: [Wien] inversion symmetry in the slab > > >> Why would you like to do that ? >> >> All the results should be identical. >> >> Oleg Artamonov schrieb: >>> Dear Wien2k users, >>> >>> I am calculating a 7-layer slab of W(110). What is the best way to remove >>> the inversion symmetry from my structure? >>> >>> Thank you, >>> Oleg Artamonov >>> >>> >>> _______________________________________________ >>> 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 >> > > > _______________________________________________ > 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/ --------------------------------------------------------------------------