[DFTB-Plus-User] apply force on my model
JianbingNiu at my.unt.edu
Tue Apr 16 16:26:41 CEST 2013
In my model, i have an iron nanoparticle on the graphene, and i want to lift the iron particle, so i do not know how to add the force.
Thank you and regards
From: dftb-plus-user-bounces at dftb-plus.info [dftb-plus-user-bounces at dftb-plus.info] on behalf of Bálint Aradi [balint.aradi at bccms.uni-bremen.de]
Sent: Tuesday, April 16, 2013 2:23 AM
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] apply force on my model
Dear Jianbing Niu,
> I want to apply force on some part of the model, but i can not find the appropriate command, does anybody know it and help me ?
Can you specify more in detail what you are planning to do? You want to
apply an external force on the atoms in your system?
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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