[tcscf_energy] type: Threshold doc: TC-SCF ENERGY interface: ezfio [converged_tcscf] type: logical doc: If |true|, tc-scf has converged interface: ezfio,provider,ocaml default: False [max_dim_diis_tcscf] type: integer doc: Maximum size of the DIIS extrapolation procedure interface: ezfio,provider,ocaml default: 15 [level_shift_tcscf] type: Positive_float doc: Energy shift on the virtual MOs to improve TCSCF convergence interface: ezfio,provider,ocaml default: 0. [thresh_tcscf] type: Threshold doc: Threshold on the convergence of the Hartree Fock energy. interface: ezfio,provider,ocaml default: 1.e-8 [n_it_tcscf_max] type: Strictly_positive_int doc: Maximum number of SCF iterations interface: ezfio,provider,ocaml default: 50 [tc_Brillouin_Right] type: logical doc: If |true|, impose only right-Brillouin condition interface: ezfio,provider,ocaml default: False