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- From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] periodic images
- Date: Fri, 14 Jan 2005 14:55:28 +0100
pierre.boulenc@isen.fr wrote:
Hello all,
I'm trying to build a supercell with the PMMA (number 51 in the IT)
symmetries. Unfortunately, I have a set of a few atoms situated on mirror
planes so that they are repeated when applying the PMMA operators.
For example, abinit tells me that "atoms number 59 and 377 are located at the same
point of the unit cell (periodic images are taken into account)".
Is there a way to avoid the creation of the periodic images of only a set of
atoms?
Thanks a lot.
Pierre Boulenc
Dear Pierre,
I am not sure to understand. Could you send your input file ?
Xavier
- periodic images, pierre . boulenc, 01/14/2005
- Re: [abinit-forum] periodic images, Xavier Gonze, 01/14/2005
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