Dear Peter Blaha, May I ask you to give comments? In the book "The theory of Brillouns zones ..., by H. Jones" in the last paragraph is declared: there is two fold degeneracy in the arbitrary k-point in the case of inverse symmetry. Oleg.
> 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/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
