[Pw_forum] Noncolinear calculations

[Abdeslam HOUARI]

Dear Ricardo;
Sorry to reply late... I think that according to the excellent paper of A.
Dal Corso that you mentioned, it depends on the PP that you use. If you use
for example a Fully Relativistic PP, so its OK for spin-orbit and other
terms !
The implementation concerns rather the ld.x code (to generate PP).
Cheers;
Abdeslam


2013/4/9 Ricardo Mendes Ribeiro <ricardo at fisica.uminho.pt>

> Hello
>
> I would like to confirm if the noncolinear calculations that are
> implemented in
> Quantum Espresso are the ones described by Andrea Dal Corso in PRB 82,
> 075116 (2010),
> section II on Relativistic Spin-Density Functional Theory.
>
> In particular, whether only the nonrelativistic limit is implemented
> (Pauli equations),
> or the spin-orbit , Darwin and mass-velocity terms are also included.
>
> Thank you very much.
>
> --
> -----------------------------------
> Ricardo Mendes Ribeiro
> http://hawk.fisica.uminho.pt
> Universidade do Minho, Portugal
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>



-- 
==============================================
Abdesalem HOUARI
-------------------------------------------------------------------------------------------
Department of physics, Theoretical Physics Laboratory
University of Bejaia-06000. Algeria.
E-mail: abdeslam.houari at univ-bejaia.dz<http://fr.mc274.mail.yahoo.com/mc/compose?to=abdeslam.houari@univ-bejaia.dz>&
habdeslam at gmail.com<http://fr.mc274.mail.yahoo.com/mc/compose?to=habdslam@yahoo.fr>
https://sites.google.com/site/houariabdeslam/homepage
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