[CP2K-user] [CP2K:16203] SCCS with DFTB

Matteo Signorile signoignazio at gmail.com
Wed Nov 10 09:07:38 UTC 2021

I was attempting to use SCCS (parameters from 
https://doi.org/10.1063/1.3676407) implicit solvation in my periodic DFTB 
calculation (the structural model is a zeolite, i.e. a nanoporous silicate).
Everything seems to work fine, apart the solvation energy is systematically 
I have tried also on non periodic system (single water molecule in a box) 
and the result is the same.
I attach the input I'm using, is there something wrong I'm not able to spot?
Thanks in advance fro your help


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