Mix the HOMO/LUMO in UHF or UKS to break alpha/beta spatial symmetry. Useful to produce broken-symmetry unrestricted solutions. Notice that this procedure is defined only for calculations in C1 symmetry. Type: boolean Default: false
Mix the HOMO/LUMO in UHF or UKS to break alpha/beta spatial symmetry. Useful to produce broken-symmetry unrestricted solutions. Notice that this procedure is defined only for calculations in C1 symmetry.
Type: boolean
Default: false
