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Re: [abinit-forum] GW including the interaction SO

From: andrés naudi <a_naudi@yahoo.com.ar>
To: forum@abinit.org
Subject: Re: [abinit-forum] GW including the interaction SO
Date: Wed, 14 Oct 2009 10:32:44 -0700 (PDT)
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Dear Matteo Giantomassi

Thank you very much for its response

Attentivly

Andrés A. Naudi

--- El mié 14-oct-09, Matteo Giantomassi <Matteo.Giantomassi@uclouvain.be> escribió:

De: Matteo Giantomassi <Matteo.Giantomassi@uclouvain.be>
Asunto: Re: [abinit-forum] GW including the interaction SO
Para: forum@abinit.org
Fecha: miércoles, 14 de octubre de 2009, 2:40 pm

> 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

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[abinit-forum] GW including the interaction SO, a_naudi, 10/13/2009
- Re: [abinit-forum] GW including the interaction SO, Matteo Giantomassi, 10/14/2009
  - Re: [abinit-forum] GW including the interaction SO, andrés naudi, 10/14/2009