[thresh_scf] type: Threshold doc: Threshold on the convergence of the Hartree Fock energy interface: input default: 1.e-10 [n_it_scf_max] type: Strictly_positive_int doc: Maximum number of SCF iterations interface: input default: 200 [mo_guess_type] type: MO_guess doc: Initial MO guess. Can be [ Huckel | HCore ] interface: input default: Huckel [energy] type: double precision doc: Calculated HF energy interface: output