[gpaw-users] Dielectric function of magnetic systems

[James Lloyd-Hughes]

Dear Kirsten,

Thanks for your message and advice. I was using the Ubuntu 10.04 
repository version (0.7.6974-1~ppa1), which I see now from the gpaw web 
page is a few years out of date. I have installed version 0.9.0 and 
using the RPA keyword the optics calculations seem to work.

Kind regards,

James


On 28/06/12 11:00, gpaw-users-request at listserv.fysik.dtu.dk wrote:
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>     1. Re: Dielectric function of magnetic systems (Kirsten Andersen)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Wed, 27 Jun 2012 14:16:43 +0200
> From: Kirsten Andersen <kiran at fysik.dtu.dk>
> Subject: Re: [gpaw-users] Dielectric function of magnetic systems
> To: gpaw-users at listserv.fysik.dtu.dk
> Message-ID: <4FEAF9AB.2090304 at fysik.dtu.dk>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> Hi James,
>
> Spin polarized calculations should be possible within the RPA
> approximation. Try setting xc = 'RPA' when defining the DF() object (set
> to xc = 'ALDA' by default, which is not implemented for spin polarized
> calculations as far as I can tell). Also, are you using the latest
> version of gpaw?
>
> Kind regards,
>
> Kirsten
>
>
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-- 
Dr J. Lloyd-Hughes

EPSRC Career Acceleration Fellow, University of Oxford, Department of 
Physics.

Lecturer in Physics, Brasenose College, University of Oxford.

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