Useful Tips
==============

Examples in this page assume that ``mp-22862`` (NaCl) has been computed using auto-kappa.
Please also see ``auto-kappa/examples/6_parser/basic``.

.. contents:: Table of contents
   :local:
   :depth: 1


Make DFSET file for Alamode
-----------------------------

.. literalinclude:: ./basic/make_dfset.py

.. literalinclude:: ./basic/DFSET.cube
   :lines: 1-10


Make BORNINFO file for ALAMODE
-------------------------------

.. literalinclude:: ./basic/make_borninfo.py


Plot phonon dispersion and DOS
-------------------------------

.. literalinclude:: ./basic/plot_bandos.py

.. figure:: ./basic/fig_bandos.png
    :height: 300px
    :align: center
    
    Phonon dispersion with participation ratio and DOS of Silicon

Plot force constants
--------------------

.. literalinclude:: ./basic/plot_fcs.py

.. figure:: ./basic/fig_fcs.png
    :height: 300px
    :align: center
    
    Force constants of NaCl


.. Plot results of cross validation
.. =====================================

.. .. code-block:: shell
    
..     $ ls
..     ... **.cvset1 **.cvset2 ... **.cvscore ...

.. .. code-block:: python

..     from auto_kappa.plot.lasso import plot_cvsets
..     plot_cvsets(directory='.', figname='fig_cvsets.png')
    
.. .. figure:: ../files/fig_cvsets.png
..     :height: 250px
..     :align: center

..     Results for cross-valication