[DFTB-Plus-User] apply force on my model

Niu, Jianbing JianbingNiu at my.unt.edu
Tue Apr 16 16:26:41 CEST 2013


Dear Bálint,

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

Jianbing___________________
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?

  Best regards,

  Bálint

--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/





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