[Wien] Spin orientation

[Uday]

Dear Lyudmila,
This is a very useful information. Thanks a lot for your kind help.

With kind Regards,
Uday
Dept. of Physics
IIT Kanpur

> 14.02.2013 13:33, Uday wrote:
>> Can we choose the spin orientation for an atom in WIEN2K?
>> For example, Eu spins are oriented along (110) in EuFe2As2.
>> In WIEK2K the default setting gives the spin direction along (001).
>> Can we change that?
>
> Dear Uday,
>
> In a usual spin-polarized calculation, there is no a dependence on
> angle, so no spin orientation. When you switch on the spin-orbit
> correction you obtain it and can point the direction in the input file
> case.inso :
> WFFIL
>   4  1  0                      llmax,ipr,kpot
>   -10.0000   1.50000           emin,emax (output energy window)
>     0.  0.  1.     direction of magnetization (lattice vectors) <--!!!
>
> Best regards
>    Lyudmila Dobysheva
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