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Re: [abinit-forum] Studying ions with abinit

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Studying ions with abinit
Date: Fri, 25 May 2007 10:05:49 +0200
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Hi Davide,

Yes you can use ions. Just have a look at yesterday posts titled 'simulation of Ion group".
You don't need new pseudo potentials. But you'll need a neutralizing background.

Regards

PMA

On 5/25/07, Davide Sangalli <davide.sangalli@gmail.com> wrote:

Dear forum,
can Abinit study, within DFT, even ions?
If yes can I use the same pseudo-potentials I'm using
for neutral moleculs?

Thanks,
Davide

--
Pierre-Matthieu Anglade

Studying ions with abinit, Davide Sangalli, 05/25/2007
- Re: [abinit-forum] Studying ions with abinit, Anglade Pierre-Matthieu, 05/25/2007
- Re: [abinit-forum] Studying ions with abinit, Vincenzo Fiorentini, 05/25/2007