In the NCM-version there is NO case.inso. lapw1 and lapwso are "combined" and it is possible to define directions for each atom separately.
When you do spin-spirals, you cannot include spin-orbit interactions, because this would break the generalized Bloch-condition. So either: NCM including SO in a well defined "unit cell", or spin-spirals (with arbitrary q) but no SO. Am 21.03.2012 09:29, schrieb Lyudmila Dobysheva: > Dear WIEN developers and users, > How does this combination - noncollinear magnetism and spin-orbit interaction > - is realized in WIENNCM?I mean the direction of magnetization in the file > inso.What was it in the > paper Phys Rev B 69, 140408?R? (2004?)Magnetic structure and electric-field > gradients of uranium dioxide: An ab initio studyR. Laskowski, G. K. H. > Madsen, P. Blaha, and K. > SchwarzThere are several atoms with different directions of the magnetic > moments, and zero total magnetization. > How should the inso file be constructed for the case of spin spiral? > Best regards, Lyudmila > Dobysheva------------------------------------------------------------------Phys.-Techn. > Institute of Ural Br. of Russian Ac. of Sci.426001 Izhevsk, > ul.Kirova > 132RUSSIA------------------------------------------------------------------Tel.:7(3412) > 442118 (home), 218988(office), 250614(Fax)E-mail: lyu at otf.pti.udm.ru > lyuka17 at mail.ruSkype: lyuka17, > lyuka18http://fti.udm.ru/content/view/25/103/lang,english/------------------------------------------------------------------_______________________________________________Wien > mailing listWien at > zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------
