[gpaw-users] gpaw-users Digest, Vol 175, Issue 6

[DAMEGARIN SAMBIANI]

Dear GPAW users,

I have a concern regarding the use of GPAW's Poisson solver. I am
constructing my densities from wave functions that are in 2D, and I would
like to use this 2D density to solve the Poisson equation. However, the
Poisson solver code is designed in such a way that it cannot handle 2D
densities. I would like to know how to resolve this issue. Please help me.

SAMBIANI

PhD student

Le ven. 9 août 2024 à 10:27, <gpaw-users-request at listserv.fysik.dtu.dk> a
écrit :

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>    1. Re: PAW for Ce (Jens J?rgen Mortensen)
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>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Thu, 8 Aug 2024 16:19:03 +0200
> From: Jens J?rgen Mortensen <jjmo at dtu.dk>
> To: Desalegn Nigatu <desalegnnigatu at gmail.com>,
>         gpaw-users at listserv.fysik.dtu.dk
> Cc: Thomas Bligaard <tbli at dtu.dk>
> Subject: Re: [gpaw-users] PAW for Ce
> Message-ID: <49258d40-ad70-4ff5-92c1-da9031a4df17 at dtu.dk>
> Content-Type: text/plain; charset=UTF-8; format=flowed
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> On 8/4/24 20:47, Desalegn Nigatu via gpaw-users wrote:
> > Dear all
> >
> > Where can i find PAW for Ce?
>
> You can create a PAW-potential for Ce with this command:
>
>    $ gpaw dataset Ce -fPBE -s -r 2.5,2.4,2.4,2.2 -w
>
> Jens J?rgen
>
> > with regards
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> End of gpaw-users Digest, Vol 175, Issue 6
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