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Re: [abinit-forum] How to analyze result of AIM(Bader)?

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] How to analyze result of AIM(Bader)?
Date: Tue, 7 Aug 2007 10:36:16 +0200
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Hi,

Indeed the documentation about this output file is not very complete and didactic in the tutorial if you don't know much about this methods.
Have you already read the litterature about this ?
For instance an article where the person having implemented that into Abinit uses this method is :
Phys. Rev. B 73, 165208 (2006)
And the original article from Bader is:
J Phys Chem A, 102 , 7314 (1998)

If you have enough time you may want to contribute to Abinit with a description of your findings that will help other understanding and mastering this part of the code. This would be quite kind.

best,

--
Pierre-Matthieu Anglade

How to analyze result of AIM(Bader)?, xd0533, 08/07/2007
- Re: [abinit-forum] How to analyze result of AIM(Bader)?, Anglade Pierre-Matthieu, 08/07/2007