[CP2K-user] [CP2K:19462] Printing Energy of each atom
José Maria Arbués
jmarbues at gmail.com
Fri Nov 3 19:34:31 UTC 2023
Hello.
I would like to print each atom's potential energy in a simple ENERGY_FORCE
simulation and from what I saw such a thing is possible by adding a section
PROPERTIES inside FORCE_EVAL but it just gives me a strange error (input
and output files are given below)
I would really appreciate any help regarding my problem.
Kind regards, José Arbués
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