[Wien] WIENNCM + spin-orbit

[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 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, 140408͑R͒ (2004͒)
> 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
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-- 
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