[DFTB-Plus-User] how to get the potential energy from MD output file

[Bálint Aradi]

Dear Zhu Xi,

>  Total Energy:                    -985.8572224971 H
>  Total Mermin free energy:        -985.8578106112 H
>>> Charges saved for restart in charges.bin
>  MD Temperature::                    0.0001297882 H           40.9838 K
>  MD Kinetic Energy:                  0.1166147084 H
>  Total MD Energy:                 -985.7411959028 H
> 
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> how can I get more details? such as potential energies?

 See md.out.

  Best regards,

    Bálint

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


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