Calculation of Polarisation Energy in SCCS

Andrew Milne keinboc... at
Wed Oct 12 13:15:58 UTC 2016

Hello, I've started using SCCS to model the effect of a solvent in CP2K v3.0

I was wondering if you could elucidate on how exactly the polarisation 
energy in SCCS is calculated. Looking at my output file, the value 
[(Hartree Energy) - (Hartree Energy of Solute and Solvent)] isn't the same 
as the polarisation energy, so I was just hoping to know more precisely how 
the value for the polarisation energy is arrived at. 

Vielen Dank im Voraus,

Andrew Milne
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