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- From: Marc Torrent <marc.torrent@cea.fr>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] structure optimization
- Date: Thu, 23 Feb 2006 17:58:27 +0100
Try "strtarget" keyword !
This is more simple than coding Fortran...
Marc Torrent
Anglade Pierre-Matthieu a écrit :
I think you're right to some extent. You might just substract your
imposed stress from the computed one in the optimization routine...
This may do the job.
--
Pierre-Matthieu Anglade
- 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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