Dear Marcelo, Thank you for the answer. My calculations include SOC, they are not spin-polarized. I managed to extract information about spin by using the option ( *lsigma(i)* ) in bands.x input file.
Best regards, Fabio Marcelo Albuquerque <marcelofi...@id.uff.br> escreveu no dia quarta, 20/01/2021 à(s) 12:53: > Dear Fábio, > > There are a few examples in QE that shows us how to perform spin-polarized > calculations to extract the spin-polarized band structures of a system. > > Here are some of the directories where you can find them: > 1) .../QE/PP/examples/example06 > 2) .../QE/PW/examples/example06 > 3) .../QE/PW/examples/example11 > > Here PP stands for Post-Processing. I put it at first because there you're > going to find how to plot the bands. > > Hope it can help. > > Cheers, > * Marcelo Albuquerque* > > * Ph.D. Candidate* > > * Physics Institute* > > *Universidade Federal Fluminense (UFF)* > * Niterói/RJ - Brazil* > > > > On Wed, Jan 20, 2021 at 8:01 AM Fábio Ferreira wrote: > >> >> Dear all, >> >> I have carried out calculations for transition metal dichalcogenides like >> MoS2 including spin-orbit-coupling. >> In this paper (https://doi.org/10.1039/C9RA10199C) they extract the value >> of spin component Sz as you can be seen in Figs. 1 and 3. >> I would like to know if it is possible to extract information about spin >> polarization in each band at a certain K-point. >> >> Best regards, >> Fabio >> -------------- next part -------------- >> An HTML attachment was scrubbed... >> URL: < >> http://lists.quantum-espresso.org/pipermail/users/attachments/20210119/a7114d6f/attachment-0001.html >> > >> >> ------------------------------ >> >> >> _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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