[density_for_dft] type: character*(32) doc: Type of density used for DFT calculation. If set to WFT , it uses the density of the wave function stored in (psi_det,psi_coef). If set to input_density it uses the one-body dm stored in aux_quantities/ . If set to damping_rs_dft it uses the damped density between WFT and input_density. In the ks_scf and rs_ks_scf programs, it is set to WFT. interface: ezfio, provider, ocaml default: WFT [damping_for_rs_dft] type: double precision doc: damping factor for the density used in RSFT. interface: ezfio,provider,ocaml default: 0.5 [no_core_density] type: character*(32) doc: Type of density. If [no_core_dm] then all elements of the density matrix involving at least one orbital set as core are set to zero interface: ezfio, provider, ocaml default: full_density [normalize_dm] type: logical doc: Type of density. If .True., then you normalize the no_core_dm to elec_alpha_num - n_core_orb and elec_beta_num - n_core_orb interface: ezfio, provider, ocaml default: True