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Re: [abinit-forum] How define the band gap

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] How define the band gap
Date: Mon, 21 Apr 2008 09:45:05 +0200
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Hi,

I think you can use the usual definition for the band gap : the
smallest energy difference between your highest occupied band and the
lowest unoccupied one. However from your input file, what you want to
do is not quite clear (for me at least).

regards

PMA

On Mon, Apr 21, 2008 at 5:29 AM, Andrey Chibisov
<andreichibisov@yandex.ru> wrote:
> Hello! I'm new user.
> How define the band gap? For example for Si 3x3x3.
>
> --
> Andrey Chibisov.
> Candidate of Science,
> Structural Ceramics Laboratory
> Institute of Geology and Nature Management
> Far Eastern Branch of Russian Academy of Sciences
>
>

--
Pierre-Matthieu Anglade

[abinit-forum] How define the band gap, Andrey Chibisov, 04/21/2008
- Re: [abinit-forum] How define the band gap, Anglade Pierre-Matthieu, 04/21/2008