[CP2K-user] [CP2K:18528] the timing for SCCS model

'Janson Shi' via cp2k cp2k at googlegroups.com
Thu Mar 9 10:50:38 UTC 2023

Dear sir,

I have recently simulated the system of 2D COF +  58 H2O molecules, where 
the H2O molecules are within the range of 3 angstrom from 2D COF. Should I 
activate the SCCS and geometrically optimize the system, or consider the 
implicit solvent model after system geo-opt without SCCS model?

Best regards,
Janson Shi

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