cp2k lennard jones units

Bartholomeo Pietzu bartho... at gmail.com
Tue Dec 12 18:02:01 UTC 2017


Hello dear CP2k Users,

I have a problem with the energy units in CP2k. According to the manual the
epsilon in CP2K is given as "K_e" unit.

What is "K_e"? I never heard of it. The only thing I found is the coulomb
constant, but this is not a valid epsilon, as the units should be equal to
kcal/mol.

Greetings
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