Resolve open-shell states.
The individual electronic states of an average-of-configurations calculation are resolved by a full CI in the small open-shell manifold(s) using the GOSCIP – COSCI module module.
Note that even if this is a small CI diagonalization one needs in principle to generate all AO integrals for the initial 4-index transformation. The cost of calculation can be greatly reduced invoking integral screening (controlled by .SCREEN) in the 4-index transformation, possibly also by leaving out at least SS integrals (using .INTFLG).
Screening threshold in the 4-index transformation.
A negative number deactivates screening.
Choose integral transformation algorithm (PLEASE CLARIFY!)