CFOUR_SCF_DAMPING

Controls the damping (in the first iterations (specified by CFOUR_SCF_EXPSTART via \(D_{new} = D_{old} + X/1000 * (D_{new} - D_{old})\) with \(X\) as the value specified by the keyword. The default value is currently 1000 (no damping), but a value of 500 is recommended in particular for transition metal compounds where the SCF convergence is often troublesome. Psi4 Interface: Keyword subject to translation from value of DAMPING_PERCENTAGE unless set explicitly.

• Type: integer

• Default: 1000