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
******************************************************** - Article premier - Les hommes naissent et demeurent libres et égaux en droits. Les distinctions sociales ne peuvent être fondées que sur l'utilité commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la liberté, la propriété, la sûreté et la résistance à l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM), Italy Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <[email protected]> http://www.ism.cnr.it/english/staff/mattiolig ResearcherID: F-6308-2012 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
