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From: Michel Cote <Michel.Cote@umontreal.ca>
To: forum@abinit.org
Subject: Re: [abinit-forum] fixed atoms?
Date: Mon, 27 Aug 2007 20:31:06 -0400
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Have a look at the input variables natfix et iatfix.

Michel Cote

Le 07-08-27 à 16:59, Hua Bao a écrit :

Dear abinit-user,

Is it possible to fix certain atoms while doing geometry optimization?

Thanks,
Hua

_____________________________________

Michel Cote

Departement de physique

Universite de Montreal

fixed atoms?, Hua Bao, 08/27/2007
- Re: [abinit-forum] fixed atoms?, Michel Cote, 08/28/2007