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Re: [abinit-forum] allow

From: Anglade Pierre-Matthieu <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] allow
Date: Mon, 16 Mar 2009 15:22:02 +0100
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Hi,

You may use either a supercell where you include the appropriate
proportion of A and B or use (carefully) alchemical pseudopotentials
(see the variable algalch for instance
http://www.abinit.org/Infos_v5.5/input_variables/vargs.html#algalch ).

regards

PMA

On Mon, Mar 16, 2009 at 3:12 PM, mourad <mbarki_mourad@yahoo.com> wrote:
> Dear users,
> I want to calculate for example the gap of AxB1-xC,how can I introduce the
> x in
> abinit.
>

--
Pierre-Matthieu Anglade

[abinit-forum] allow, mourad, 03/16/2009
- Re: [abinit-forum] allow, Josef Zwanziger, 03/16/2009
- Re: [abinit-forum] allow, Anglade Pierre-Matthieu, 03/16/2009