uted
using the converged SCF density with atoms having radial shells
ranging from 35-235 (at fixed 48/96 angular quadratures) and angular
quadratures of 12/24-48/96 (at fixed 235 radial shells).  The error of
the numerical integration was determined by comparison to a ``best''
or most accurate calculation in which a grid of 235 radial points 48
theta and 96 phi angular points on each atom was used.  This
corresponds to approximately 1 million points per atom.  The following
tables were empirically determine