[Pw_forum] spin splitting

[vtmtrinh at caltech.edu]

Thanks a lot Grabiele.

My Trinh

>
>
> vtmtrinh at caltech.edu wrote:
>> Thanks a lot for your help.
>>
>> Also, I have another question.  How is the spin-orbit implemented in QE,
>> i.e. is there any approximation.  In other words, could you give me the
>> ref that QE is based on (if any).  I am looking for the part of the code
>> that ralted to the spin-orbit, but so far, I still could not locate it.
>> I
>> appreciate if you could let me know.
>
> The SO coupling is dealt with through the use of special pseudopotentials
> (called
> "fully-relativistic"), hence only contributions in the core regions are
> retained (since
> they are by far the most important).
> The way these PPs are built is described in
> Phys. Rev. B 71, 115106 (2005)
>
> If you want deeper details about all the theory beyond noncollinear and SO
> in QE, I can
> point you to Andrea Dal Corso's webpage
> http://people.sissa.it/~dalcorso/
> who is the main developer of that part of the code. You'll find detailed
> lecture notes and
> a list of references therein.
>
> Regards,
>
> GS
>
>>
>> Best,
>>
>
> --
>
>
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> | Gabriele Sclauzero, PhD Student                  |
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