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Re: [abinit-forum] partial optimization

From: Keitel Cervantes Salguero <kacsssj@gmail.com>
To: jiangx3@rpi.edu
Cc: forum@abinit.org
Subject: Re: [abinit-forum] partial optimization
Date: Tue, 9 Mar 2010 10:40:00 -0500
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Hi Xueping,

See the keyword iatfix
Then you can fix an specific atom to an axis, 2 axis or 3 axis.

Regards

On Tue, Mar 9, 2010 at 10:34 AM, <jiangx3@rpi.edu> wrote:

Dear All,

I want to optimize a system but I want some of the atoms in the system
fixed in the position. Does anyone know how to realize it? Thank you in
advance!

Best regards,
Xueping Jiang

--
Atte.
Keitel Cervantes Salguero

[abinit-forum] partial optimization, jiangx3, 03/09/2010
- Re: [abinit-forum] partial optimization, Keitel Cervantes Salguero, 03/09/2010