The ABINIT Users Mailing List ( CLOSED )

["Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>]

> Dear All
>
> It is possible to calculate the approximation GW including the interaction
> SO
> in the version 7.5.3 of Abinit?.

 No, the complete treatment of non-collinear magnetism with the
 self-consistent inclusion of spin orbit coupling at the GW level
 is not implemented.

>In case of not being possible, there
> exists
> some later(posterior) update that allows to include the above mentioned
> effect?.
>
 One can estimate the SO effect in the quasiparticle GW energies
 using the spin-orbit splitting obtained via a standard
 Kohn-Sham calculation.
 It should represent a good approximation, provided that the QP amplitudes
 are close to the KS wave functions.

 Best Regards,
 Matteo Giantomassi