[Pw_forum] ENVIRON vs COSMO solvation models

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Tue Mar 8 12:51:53 CET 2016


Dear All
I was studying the documentation of the ENVIRON 0.2 plugin and it seems that water only is coded as solvent for isolated molecules. I was wondering 
whether there is somewhere a subset of variables (which I was not able to found...) that setup alternative dielectric media as in the case of the 
COSMO model (cited in the ENVIRON documentation), which basically requires the solvent dielectric constant (ground state DFT) or dielectric 
constant+refractive index (TDDFT) only.
Thank you in advance
Giuseppe

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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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