[Wien] Which notation for the spin direction in hexagonal structure

Xavier Rocquefelte xavier.rocquefelte at univ-rennes1.fr
Sun Oct 9 13:00:08 CEST 2016


Dear Colleague

The notation is with three indices.

It will be along the directions defined in your case.struct file.

In other words, if you put 0 0 1, it will be along the c-axis of your 
case.struct file.

Best Regards

Xavier



Le 09/10/2016 à 12:52, Abderrahmane Reggad a écrit :
> Dear Wien2k users
>
> I want to introduce the spin-orbit coupling in my calculation for a 
> hexagonal structure.
>
> Would you inform me which notation should we use to introduce the spin 
> direction : that of 3 indicesor that of 4 indices.
>
> NB: The spin direction for my case is the z direction
>
> Best regards
>
> -- 
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
>
>
>
>
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