[Wien] WIENNCM + spin-orbit

2012-03-21 Thread 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

[Wien] WIENNCM + spin-orbit

2012-03-21 Thread Peter Blaha
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

[Wien] WIENNCM + spin-orbit

2012-03-21 Thread Robert Laskowski
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

[Wien] WIENNCM + spin-orbit

2012-03-21 Thread Lyudmila Dobysheva
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