## IN

This is used to specify a shielded Born-Meyer potential binary ionic clusters with anions and cations having the same magnitude charge. The atoms must be in the order cation, anion, cation, anion, etc. The energy is:

The parameters that can be specified with PARAMS are , the magnitude of the ionic charges, a single value of , assumed to be the same for all interactions, and , and , in order. Default values for KCl are set for all parameters except . Atomic units are assumed. Subroutines used: ions.

David Wales 2018-01-18