17.7.5 Interpolation

IPOL,iptyp,ipnit,ipstep,maxdis

This command controls DIIS interpolation. iptyp can be:

DIIS

direct inversion of the iterative subspace. This is the default and yields mostly fastest convergence.

DM

obsolete. No effect in MOLPRO98

HFM

obsolete. No effect in MOLPRO98

NONE

No interpolation.

$ipnit$ is the number of the iteration in which the interpolation starts. ipstep is the iteration increment between interpolations. maxdis is the maximum dimension of the DIIS matrix (default 10).