Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

EPS

Sets the dielectric constant for the solvent to n.nn. Presence of this keyword will cause the COSMO (Conductor-like Screening Model) method [30] to be used to approximate the effect of a solvent model surrounding the molecule. Solvents with low dielectric constant are not likely to work well in this model. A test is provided to allow COSMO to be validated.

To alter the Van der Waals radius, use VDW.

See also RSOLV, DISEX, COSWRT, and NSPA.