rs_ks_scf

Produce Range_separated_Kohn_Sham MO orbital output: mo_basis.mo_num mo_basis.mo_label mo_basis.ao_md5 mo_basis.mo_coef mo_basis.mo_occ output: kohn_sham.energy optional: mo_basis.mo_coef

Needs:

io_mo_one_e_integrals mu_erf_dft

density_for_dft io_ao_one_e_integrals

read_wf

Calls:

check_coherence_functional() create_guess()

orthonormalize_mos()

run()

Touches:

fock_matrix_ao_alpha fock_matrix_ao_alpha fock_matrix_ao_alpha fock_matrix_ao_alpha

mo_coef density_for_dft io_ao_one_e_integrals io_mo_one_e_integrals

level_shift mo_coef mo_label