.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "gallery/plot_optic.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        Click :ref:`here <sphx_glr_download_gallery_plot_optic.py>`
        to download the full example code or to run this example in your browser via Binder

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_gallery_plot_optic.py:


Optic results
=============

This example shows how to plot the optical properties
computed by optic within the independent-particle approximation,
no local-field effects and no excitonic effects.

.. GENERATED FROM PYTHON SOURCE LINES 10-48



.. rst-class:: sphx-glr-horizontal


    *

      .. image:: /gallery/images/sphx_glr_plot_optic_001.png
          :alt: Linear dielectric function
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_optic_002.png
          :alt: Second Harmonic Generation
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_optic_003.png
          :alt: Convergence of $\epsilon$ wrt nkpt, $\Re(\epsilon_{xx})$, $\Im(\epsilon_{xx})$, $\Re(\epsilon_{zz})$, $\Im(\epsilon_{zz})$
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_optic_004.png
          :alt: Convergence of $\chi^2(-2\omega,\omega,\omega)$ wrt nkpt, $|{Shg}_{xyz}|$, $|{Shg}_{yyy}|$
          :class: sphx-glr-multi-img





.. code-block:: default

    from abipy import abilab
    import abipy.data as abidata

    # Here we use one of the OPTIC.nc files shipped with abipy.
    # Replace filename with the path to your OPTIC.nc file.
    filename = abidata.ref_file("gaas_121212_OPTIC.nc")

    ncfile = abilab.abiopen(filename)

    # Optic files have a Structure and an ElectronBands object.
    #ncfile.ebands.plot()

    # To plot linear dielectric tensor and other optical
    # properties for all tensor components available in the file:
    ncfile.plot_linopt(title="Linear dielectric function")

    # To plot the second Harmonic tensor
    ncfile.plot_shg(title="Second Harmonic Generation")

    # Remember to close the file.
    ncfile.close()

    # Use OpticRobot to analyze multiple file e.g. convergence studies.
    filenames = [
        abidata.ref_file("gaas_444_OPTIC.nc"),
        abidata.ref_file("gaas_888_OPTIC.nc"),
        abidata.ref_file("gaas_121212_OPTIC.nc"),
    ]

    robot = abilab.OpticRobot.from_files(filenames)

    # sphinx_gallery_thumbnail_number = 3
    robot.plot_linopt_convergence(title=r"Convergence of $\epsilon$ wrt nkpt")

    robot.plot_shg_convergence(title=r"Convergence of $\chi^2(-2\omega,\omega,\omega)$ wrt nkpt")

    # Remember to close the file or use the `with` context manager.
    robot.close()


.. rst-class:: sphx-glr-timing

   **Total running time of the script:** ( 0 minutes  0.874 seconds)


.. _sphx_glr_download_gallery_plot_optic.py:


.. only :: html

 .. container:: sphx-glr-footer
    :class: sphx-glr-footer-example


  .. container:: binder-badge

    .. image:: images/binder_badge_logo.svg
      :target: https://mybinder.org/v2/gh/abinit/abipy/gh-pages?filepath=notebooks/gallery/plot_optic.ipynb
      :alt: Launch binder
      :width: 150 px


  .. container:: sphx-glr-download sphx-glr-download-python

     :download:`Download Python source code: plot_optic.py <plot_optic.py>`



  .. container:: sphx-glr-download sphx-glr-download-jupyter

     :download:`Download Jupyter notebook: plot_optic.ipynb <plot_optic.ipynb>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_