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Re: [abinit-forum] potential in the vacuum region

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] potential in the vacuum region
Date: Wed, 20 Sep 2006 11:22:59 +0200
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You can just output vhartre at the suitable point of the grid (for
instance do this in 05common/newvtr.F90). Yet you are probably aware
that the potential is not known exactly because V(g=0) must be equal
to zero in periodical cell calculations. I point that because I just
don't understand what you are going to do (because I don't know what a
work function calculation is...).

On 9/19/06, ha sa <ha_sadi@yahoo.com> wrote:

Dear abinit users,
How can I calculate the electrostatic potential
in
the middle of the vacuum region in a surface supercell
to
use it in the work function calculation.

Thanks in advance
Hanan

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--
Pierre-Matthieu Anglade

potential in the vacuum region, ha sa, 09/19/2006
- Re: [abinit-forum] potential in the vacuum region, Anglade Pierre-Matthieu, 09/20/2006
  - Re: [abinit-forum] potential in the vacuum region, ha sa, 09/20/2006
    - Re: [abinit-forum] potential in the vacuum region, Anglade Pierre-Matthieu, 09/20/2006
- <Possible follow-up(s)>
- Re: potential in the vacuum region, paul . boulanger, 09/21/2006