[Wien] FM + SOC + spin quantization axis

[Robert Laskowski]

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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==================================================
Dr. Robert Laskowski

Senior Scientist, Materials Science & Engineering Department
Institute of High Performance Computing, A*STAR
1 Fusionopolis Way, #16-16, Connexis, Singapore 138632
Tel(Off): +65. 64191493     Fax: +65. 64632536
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