PSI4 Project Logo

CFOUR_SCF_EXTRAPOLATIONΒΆ

Specifies whether or not the DIIS extrapolation is used to accelerate convergence of the SCF procedure. OFF (=0) means do not use DIIS, ON (=1) means use DIIS.

Previous topic

CFOUR_SCF_EXPSTART

Next topic

CFOUR_SCF_MAXCYC

This Page