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Re: [abinit-forum] anaddb & rprim

From: jinhong zhang <zhangjinhong2009@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] anaddb & rprim
Date: Tue, 22 Dec 2009 10:20:10 +0800
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Dear Bertazzi

I don't know whether you understood rprim. Once you change the rprim, it is completely another system with a different geometrical structure. I don't think you can get any information from a system you are not computing.

Fan

2009/12/10 <bertazzi@bu.edu>

Dear all,

The rprim variable for the Hexagonal lattice has to be 1.0 0.0 0.0 -.5
sqrt(3)/2 0.0 0.0 0.0 1.0 in order for the ANADDB code to work properly. I
would like to know if it is possible to obtain the phonon eigenvectors for
another set of primitive vectors from the eigenvectors computed by ANADDB. Any
help is appreciated!

Best Regards, Francesco Bertazzi

[abinit-forum] anaddb & rprim, bertazzi, 12/10/2009
- Re: [abinit-forum] anaddb & rprim, zahra hooshmand, 12/10/2009
- Re: [abinit-forum] anaddb & rprim, jinhong zhang, 12/22/2009