Outlying charge correction:

Because the electron density is not zero outside the cavity one makes a mistake, which should be corrected by the "outlying charge correction". This correction will be performed at the end of a converged SCF or an iterative MP2 calculation and uses an outer surface, which is constructed by an outward projection of the spherical part of the surface onto the radius $R_{i}+ROUTF*RSOLV$, for the estimation of the energy and charge correction [90]. It is recommended to use the corrected values.