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

[Zhu Xi]

Hi all,

I found the energy output of a MD simulation is quite simple,  like below:



 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






how can I get more details? such as potential energies?


Thanks!