STEPHESS — Specify step size in numerical differentiation of Hessian.
Usage
STEPHESS=n.n
Description
The step size used in computing the Hessian by finite differences on gradients is chosen automatically by default. STEPHESS overrides this default and specifies the differentiation step size as n.n Angstroms. Recommended values for STEPHESS range from 1 × 10-2 to 1 × 10-5.
