OPT_METHOD

The optimization algorithm. Modified Steepest-Descent (MSD) takes a Newton-Raphson (NR) step with a crude approximation to diagonal elements of the MO Hessian. The ORB_RESP option obtains the orbital rotation parameters with a crude approximation to all elements of the MO Hessian. Additionally, for both methods a DIIS extrapolation will be performed with the DO_DIIS = TRUE option.

• Type: string

• Possible Values: MSD, ORB_RESP

• Default: MSD