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Re: [abinit-forum] adopting GW with LDA on GGA bandstructure?

From: "Raja v" <abraja.v@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] adopting GW with LDA on GGA bandstructure?
Date: Thu, 6 Nov 2008 19:13:40 -0400
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Dear Matteo Giantomassi,
thanks for ur reply. sorry, i found the mistake from my part. i am using ABINIT version 5.4.4. I could run GW with GGA without error.

thanks for ur help.
regards,
Raja.

On Thu, Oct 30, 2008 at 12:50 PM, Matteo Giantomassi <Matteo.Giantomassi@uclouvain.be> wrote:

> hello,
> i am a new user of ABINIT
>
> I have a problem of finding GW correction with GGA pseudo potential for a
> semiconductor, but i could perform GW correction with LDA pseudo
> potential.
>
> Now, my question is can i adopt the GW correction calculated with LDA
> pseudo
> potential on the bandstructure calculated with GGA?

Dear Raja,

GW calculations are available with GGA, at least in relatively recent
versions of Abinit. If I remember well, GGA was not implemented in
old versions, let say <= 4.6.5. Not so sure, I should check.
Could you provide the version you are using as well as the log file.
Besides, what kind of problem are you encountering? Crash of the run,
unphysical result ...

Best Regards,
Matteo Giantomassi
>
> Regards,
> Raja.

Re: [abinit-forum] adopting GW with LDA on GGA bandstructure?, Raja v, 11/07/2008