OPT_METHODΒΆ
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 by solving the orbital-reponse (coupled-perturbed CC) equations. Additionally, for both methods a DIIS extrapolation will be performed with the DO_DIIS = TRUE option.
- Type: string
- Possible Values: MSD, ORB_RESP
- Default: ORB_RESP