Spin-polarized calculations

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hanwooh

Spin-polarized calculations

Post by hanwooh »

Dear all,

Hello!

I try to calculate spin-polarized calculations, not non-collinear calculations, with EPW.

Can EPW be compatible with spin-polarized calculations?

and If it can do, which tags do I have to use??

Thanks.

Best regards,

sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Spin-polarized calculations

Post by sponce »

Dear hanwooh,

EPW only supports SOC at the moment.
LSDA is not supported. Magnetism is not supported.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

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