[QE-users] Magnetic anisotropy energy in QE 6.3

[Paolo Giannozzi]

here? PP/examples/ForceTheorem_example/

P.

On Thu, Jul 12, 2018 at 10:01 AM, Marcos Veríssimo Alves <
marcos.verissimo.alves at gmail.com> 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
>
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-- 
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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