forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] Do GW approximation support spin-polarized calculation?

From: "Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>
To: forum@abinit.org
Subject: Re: [abinit-forum] Do GW approximation support spin-polarized calculation?
Date: Tue, 15 Apr 2008 10:58:15 +0200 (CEST)
Domainkey-signature: a=rsa-sha1; c=nofws; d=uclouvain.be; h=message-id: in-reply-to:references:date:subject:from:to:mime-version: content-type:content-transfer-encoding; q=dns; s=selucl; b=agtwI mZJ7Wn8x/5+MLYJkhnt26Nt5dXKs4eA/9TCQuH9bi8MegJ9QUe7VoxfEHiQx3wu6 gEh8cEfssosZ9hpZP2Rfzn747tgYUcRs4HA/88dRi2rW5Zsb/1DskUWZVhAugbJa qDoyblQia591R5lPfNlSfm/HAhZ+cANbJEhw64=
Importance: Normal

> Dear all,
>
> I have to calculate GW correction to a spin-polarized system. But I
> did
> not find any comment about spin-polarized calculation in the GW section in
> the help document

Spin polarized GW calculations are available since version 5.1, but I
suggest use the latest stable version (5.4).
There is no need to use special input variables to use this feature.
You only have to generate a KSS file using nsppol=2

Best Regards,
Matteo Giantomassi

>
> --
> Department of Physics
> Peking University
> Beijing 100871
> P. R. China
>

[abinit-forum] Do GW approximation support spin-polarized calculation?, Lin Lai, 04/15/2008
- Re: [abinit-forum] Do GW approximation support spin-polarized calculation?, Matteo Giantomassi, 04/15/2008