#!/bin/sh # == Expert option == # This example demonstrates how to use DRF. Here, the hyperpolarizability is # calculated of a water molecule surrounded by an environment of 127 water # molecules. See also: C.R. Jacob, J. Neugebauer, L. Jensen and L. Visscher, # Comparison of frozen-density embedding and discrete reaction field solvent # models for molecular properties, Physical Chemistry Chemical Physics 8, 2349 # (2006) $ADFBIN/adf <