[DFTB-Plus-User] How to calculate the force distribution per atom?

[Bálint Aradi]

> 
> I want to calculate the force distribution per atom by using the
> SCC-DFTB with the the VelocityVerlet method and draw the figure of force
> distribution , I do not know how to do it, please help me.

You find the forces on moved atoms in detailed.out.

  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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