[CP2K-user] [CP2K:12125] ATOMIC FORCES units?

Dawid das add... at googlemail.com
Fri Aug 23 17:44:36 UTC 2019


These are atomic units. 1 atomic unit of force is 8.2387234983(12)×10^(−8)
Newtons

pt., 23 sie 2019 o 18:41 MD Simulation <mdsimula... at gmail.com>
napisał(a):

> What are the units of the force in an energy_force calculation? The output
> says "ATOMIC FORCES in [a.u.]"
>
>
> Thanks for the help!
>
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