here? PP/examples/ForceTheorem_example/ P.
On Thu, Jul 12, 2018 at 10:01 AM, Marcos Veríssimo Alves < [email protected]> wrote: > Hi all, > > Browsing QE 6.3's documentation, I saw that MAE can be calculated as a > post-processing step to a pw.x scf calculation. What is the exact procedure > followed? I.e., in the post-processing calculation is the spin density > rotated, and then SOC is included? Is there any reference that details the > procedure used when the MFT is applied in Espresso? > > Best regards, > > Marcos > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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