Hi, the direction specified in inso is ignored, the z axis of the spin frame is set parallel to the direction specified in inncm.
regards Robert On Wednesday 21 March 2012 09:29:39 Lyudmila Dobysheva wrote: > 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 study > R. Laskowski, G. K. H. Madsen, P. Blaha, and K. Schwarz > There 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 132 > RUSSIA > ------------------------------------------------------------------ > Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) > E-mail: lyu at otf.pti.udm.ru > lyuka17 at mail.ru > Skype: lyuka17, lyuka18 > http://fti.udm.ru/content/view/25/103/lang,english/ > ------------------------------------------------------------------ > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Dr Robert Laskowski Vienna University of Technology, Institute of Materials Chemistry, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria tel. +43 1 58801 165303 Fax +43 1 58801 15698