.. _save_natorb: 
 
.. program:: save_natorb 
 
=========== 
save_natorb 
=========== 
 
 
  
 extracts the corresponding natural orbitals and set them as the new MOs 
  
 If this is a multi-state calculation, the density matrix that produces the natural orbitals 
  
 is obtained from a state-averaged of the density matrices of each state with the corresponding state_average_weight (see the doc of state_average_weight). 
 
 Needs: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:data:`read_wf` 
 
 Calls: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:func:`ezfio_set_mo_one_e_ints_io_mo_integrals_e_n` 
    * :c:func:`ezfio_set_mo_one_e_ints_io_mo_integrals_kinetic` 
    * :c:func:`ezfio_set_mo_one_e_ints_io_mo_integrals_pseudo` 
    * :c:func:`ezfio_set_mo_one_e_ints_io_mo_one_e_integrals` 
    * :c:func:`ezfio_set_mo_two_e_ints_io_mo_two_e_integrals` 
    * :c:func:`save_natural_mos` 
    * :c:func:`save_ref_determinant` 
 
 Touches: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:data:`mo_occ` 
    * :c:data:`read_wf`