wfn
======

This option controls the details of wave function analysis.

.. contents::
   :local:

.. option:: file

   .. list-table::
      :stub-columns: 1
      :widths: 5 20
   
      * - Value
        - File name
      * - Default
        - None

   The file name of the wave function to be analyzed (in MWFN format).

.. option:: loc_max_it

   .. list-table::
      :stub-columns: 1
      :widths: 5 20
   
      * - Value
        - An integer
      * - Default
        - ``500``
   
   The maximum number of steps for orbital localization.

.. option:: loc_cov

   .. list-table::
      :stub-columns: 1
      :widths: 5 20
   
      * - Value
        - A real number
      * - Default
        - ``1.E-6``
   
   The convergence threshold for orbital localization.

.. option:: print_MO_details
   
   When this keyword is presented, much more information will be output for orbital component analysis.