nosi_dets_mwfn
===================

This option defines the MWFN wave functions used in NOSI calculations.

.. contents::
   :local:

.. option:: file

   .. list-table::
      :stub-columns: 1
      :widths: 5 20
   
      * - Value
        - A file name
      * - Default
        - None
       
   List the file name of the determinants to be read.

.. option:: spin_filp

   List of determinant indices to perform spin flip (alpha to beta and beta to alpha).

   .. WARNING::
      Only supported when alpha electrons number equals to beta electrons number.

.. option:: triplet

   High spin triplet energy can be used as degeneracy condition when doing spin-pairing interactions between two unpaired electrons. The format is: ``triplet triplet.mwfn det1.mwfn det2.mwfn``

   - ``triplet.mwfn`` The mwfn type file with high spin triplet information: |alpha(1),alpha(2)> 
   - ``det1.mwfn``    One determinant with two unpaired electrons: |alpha(1),beta(2)> 
   - ``det2.mwfn``    Another determinant with two unpaired electrons: |beta(1)>alpha(2)>