[DFTB-Plus-User] Info: Cosmo with periodic boundary condition

daniele.veclani at isof.cnr.it daniele.veclani at isof.cnr.it
Mon Dec 20 13:28:28 CET 2021


Dear DFTB+ users,

I'm a newbie user of DFTB+, I noticed that a new version of DFTB + has 
been released, in this version there is the possibility to use the COSMO 
as an implicit solvent model.

I wanted to know if it was possible to use this model with the periodic 
boundary conditions?

Best regards,
Daniele Veclani.


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