Keyword FREEZE

This keyword specifies a frozen auxiliary function fit.
Options:
NONE / CUSP / CORE / VALENCE
NONE No freezing of auxiliary function sets is performed.
CUSP Auxiliary function sets with exponents above 1000 are frozen.
CORE Auxiliary function sets with exponents above 100 are frozen.
VALENCE Auxiliary function sets with exponents above 1 are frozen.
TOL=$<$Real$>$ User-defined tolerance for auxiliary function freezing.
This keyword freezes the coefficients of auxiliary function sets with exponents above the given threshold to their free (spherical) atom values. This technique usually improves SCF convergence but at the cost of possibly unreliable results. Thus, careful testing is required.