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Re: [abinit-forum] A calculation of the electronic density that used cut3d

From: Anglade Pierre-Matthieu <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] A calculation of the electronic density that used cut3d
Date: Fri, 29 May 2009 08:13:41 +0200
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Hi,

Your abinit input file seems correct (yet with quite low ecut and
kptrlen, bu I guess you know) and you should get the complete density
in the DEN file. I wonder if you could have made a small mistake in
the input file of "cut3d" ? Have you checked it ?

regards

PMA

2009/5/29 Iwahori <iwahori@murata.co.jp>:
> Hello, abinit users.
>
> Electronic density of BaTiO3(cubic) wants to calculate. However, the
> calculation result of Cut3d has only oxygen. Please teach how the in file
> should have been improved.
> Please refer to an attached file.
>
> Best regards.
>
> -----
> yoshihiro IWAHORI

--
Pierre-Matthieu Anglade

[abinit-forum] A calculation of the electronic density that used cut3d, Iwahori, 05/29/2009
- Re: [abinit-forum] A calculation of the electronic density that used cut3d, Anglade Pierre-Matthieu, 05/29/2009
  - Re: [abinit-forum] A calculation of the electronic density that used cut3d, Iwahori, 05/29/2009
    - Re: [abinit-forum] A calculation of the electronic density that used cut3d, matthieu verstraete, 05/29/2009
    - Re: [abinit-forum] A calculation of the electronic density that used cut3d, Anglade Pierre-Matthieu, 05/29/2009