[CP2K-user] [CP2K:20890] Units of Forces and Energies in ENERGY_FORCE

[Albert Makhmudov]

Dear CP2K community,


I’m curious if there’s a way to obtain the energy and forces in units other 
than a.u., such as eV and eV*angstrom^-1, respectively, while running 
ENERGY_FORCE calculations.

Your help would be very much appreciated!


Best,

Albert

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