[Wien] FM + SOC + spin quantization axis

[Robert Laskowski]

Hi,

correct, you may try to use non-collinear port WIENNCM, but it is not mpi parallel,
so it is practical with smaller cases only, and has not been touched for long time.

regards

Robert

On 01 April 2014 AM 12:15:20 pluto at physics.ucdavis.edu wrote:
> 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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> > --
> > ==================================================
> > 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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--
==================================================
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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