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- From: pprodhom@chartreuse.cea.fr
- To: forum@abinit.org
- Subject: structure optimization
- Date: Thu, 23 Feb 2006 17:40:09 +0100
Dear Abiniters,
I am wondering if in Abinit it's possible to optimize a structure with a
stress on it, I looked option 'ionmov' and 'optcell' but for each case the
algorythm optimize the structure trying to reduce force between ions to zero.
So if I try to simulate a structure under a srtain in compression there is no
possibility in Abinit, Am I right?
Please anybody can help me.
Thanks in advance
PY Prodhomme
- structure optimization, pprodhom, 02/23/2006
- Re: [abinit-forum] structure optimization, Anglade Pierre-Matthieu, 02/23/2006
- Re: [abinit-forum] structure optimization, Marc Torrent, 02/23/2006
- Re: [abinit-forum] structure optimization, Scott Beckman, 02/23/2006
- Re: [abinit-forum] structure optimization, Anglade Pierre-Matthieu, 02/23/2006
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