- The most important output for
`rirpa`are the Hatre-Fock (HXX) energy and the RIRPA correlation energy which are written to the standard output. - The optimal scaling parameter for the quadrature grid is printed together
with a sensitivity parameter. The sensitivity parameter provides
a numerical estimate for the error in the numerical
integration used to evaluate
. Experience demonstrates that the sensitivity parameter correlates well with the condition number of the matrix*E*^{C RIRPA}. Small gap systems have large condition numbers and therefore require large grids. An estimate of the number of eigenvalues smaller than**Q****0.05**H is given and if necessary, a warning to increase the grid size is printed to standard output. - Enabling the option
`rpaprof`will output additional timings information.

TURBOMOLE M