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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ============================================== 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 at univ-bejaia.dz>& habdeslam at gmail.com<http://fr.mc274.mail.yahoo.com/mc/compose?to=habdslam at yahoo.fr> https://sites.google.com/site/houariabdeslam/homepage =============================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130416/419b09c1/attachment.html
