CFOUR_LOCK_ORBOCC

This keyword is used by the SCF program to determine if the orbital occupancy (by symmetry block) is allowed to change in the course of the calculation. ON (=1) locks the occupation to that set by the keyword CFOUR_OCCUPATION (or the initial guess if omitted); OFF (= 0) permits the occupation to change. (Default : 1 if the occupation is specified with CFOUR_OCCUPATION and for second and later steps of optimizations; 0 if CFOUR_OCCUPATION omitted.)