[Wien] FM + SOC + spin quantization axis

[pluto at physics.ucdavis.edu]

Hello Robert,

Thank you for the quick answer.

Does it mean, that the standard version of Wien2k cannot do this?

Regards,
Lukasz


> Hi,
>
> for that you need to compute whole spin density matrix, from it you can
> extract all components of the spin magnetization.
> However spin collinear code computes only diagonal part of the matrix,
> therefore only z component can be determined.
> To get x  and y you would have to go for non collinear code.
>
> regards
>
> Robert
>
>
>
> On 31 March 2014 AM 5:13:02 pluto at physics.ucdavis.edu wrote:
>> Dear All,
>>
>> When doing only SOC calculation, one defines the spin quantization axis
>> when running  initso.
>>
>> But how about FM + SOC? All is good as long as one plots spin projected
>> on
>> the magnetization easy axis. But how to e.g. define magnetization along
>> 001 and plot spin projected on 100?
>>
>> I hope you can provide me some good hint!
>>
>> Regards,
>> Lukasz
>>
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>
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> Institute of High Performance Computing, A*STAR
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