[CP2K-user] [CP2K:19110] Calculation of lennard jonnes interaction parameter

[shamimul Ahsan]

Dear cp2k users,

As I am new to cp2k, I want to know is it possible to calculate lennard 
jones interaction parameter (sigma, epslon) for pair of atoms using ab 
initio calculation by cp2k. If possible please suggest me how to proceed.

With regards
Shamimul Ahsan

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