Dear Peter Blaha, I expect to find the spin-splitting due to spin-orbit interaction (Rashba effect). Oleg.
----- Original Message ----- From: "Peter Blaha" <pbl...@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 >