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

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Tue Apr 16 17:28:06 CEST 2013


On 04/16/2013 04:26 PM, Niu, Jianbing wrote:
> 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.

I am still not 100% sure what you intend to do? Why not settig an
appropriate coordinate for the Fe atom, so that it has the desired
distance to your graphene sheet?

  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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