21.03.2012 13:26, Peter Blaha wrote: > 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.
Thank you, Peter and Robert! I see now: the program knows directions of atomic moments, so no necessity for us to indicate it. 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/ ------------------------------------------------------------------