[CP2K-user] K_e energy unit

Tue Boesen aly... at gmail.com
Thu Jul 8 20:22:44 UTC 2021


The Lennard Jones potential has the default unit K_e, but as far as I can 
see the unit is not explained anywhere.
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/LENNARD-JONES.html

https://manual.cp2k.org/trunk/units.html

What is K_e and how does it relate to Hartree energy or Joule?

Cheers
Tue
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