[Wien] WIENNCM + spin-orbit

Lyudmila Dobysheva lyuka17 at mail.ru
Wed Mar 21 10:59:38 CET 2012


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
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