[DFTB-Plus-User] apply force on my model
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?
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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