[QE-users] SPIN ORBIT COUPLING & LDAU IN QUANTUM ESPRESSO

[Sifuna James]

 Greetings to you!

- Does quantum espresso use by default the Dudarev approximation even when
spin orbit is switched ON?

I guess that in the Dudarev approach, you are not discriminating between
the correlated orbitals with different "m" as you should do if the "spin
see the lattice " and this is not so good.

- Does any of you have an idea on how to switch to the Lichtenstein
approach in the input file?

- Alternatively, could you share the paper that describes LDAU+U+SOC
implementation in Quantum ESPRESSO?

- Which version of the code fully supports LDA+U+SOC?
J.
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