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

Bálint Aradi aradi at uni-bremen.de
Thu Jan 21 10:07:23 CET 2016

> 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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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