Number of singlet roots. (Strictly speaking number of of roots with M_s=0 and S is even.) Use this option only with closed shell reference determinant, it must be zero otherwise. This becomes
nsing(option #2) in fort.56.
- Type: integer
- Default: 1
Number of singlet roots. (Strictly speaking number of of roots with M_s=0 and S is even.) Use this option only with closed shell reference determinant, it must be zero otherwise. This becomes
nsing(option #2) in fort.56.
- Type: integer
- Default: 1