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

.. only:: html

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

        Click :ref:`here <sphx_glr_download_gallery_plot_gruneisen.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_gruneisen.py:


Gruneisen parameters
====================

This example shows how to analyze the Gruneisen parameters
computed by anaddb via finite difference.
See also v8/Input/t45.in

.. GENERATED FROM PYTHON SOURCE LINES 10-37



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


    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_001.png
          :alt: DOSes available in the GRUNS file.
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_002.png
          :alt: Phonon bands with markers proportional to Gruneisen parameters + DOSes, $DOS$, $DOS_{\gamma}$, $DOS_{\gamma^2}$, $DOS_v$, $DOS_{v^2}$
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_003.png
          :alt: Gruneisen along high-symmetry path.
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_004.png
          :alt: Gruneisen parameters with finite differences.
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_005.png
          :alt: Scatter plot with Gruneisen parameters
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_gruneisen_006.png
          :alt: plot gruneisen
          :class: sphx-glr-multi-img





.. code-block:: default

    import abipy.data as abidata
    from abipy import abilab

    # Open the file with abiopen
    # Alternatively one can use the shell and `abiopen.py OUT_GRUNS.nc -nb`
    # to open the file in a jupyter notebook.
    ncfile = abilab.abiopen(abidata.ref_file("mg2si_GRUNS.nc"))

    # Plot phonon DOSes computed by anaddb.
    ncfile.plot_doses(title="DOSes available in the GRUNS file.")

    # Plot phonon bands with markers
    # sphinx_gallery_thumbnail_number = 2
    ncfile.plot_phbands_with_gruns(title="Phonon bands with markers proportional to Gruneisen parameters + DOSes")

    ncfile.plot_gruns_bs(title="Gruneisen along high-symmetry path.")

    ncfile.plot_phbands_with_gruns(fill_with="gruns_fd",
                                   title="Gruneisen parameters with finite differences.", with_doses=None)

    ncfile.plot_gruns_scatter(units='cm-1',title="Scatter plot with Gruneisen parameters")

    # Construct plotter object to analyze multiple phonon bands.
    plotter = ncfile.get_plotter()
    plotter.combiboxplot()

    ncfile.close()


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

   **Total running time of the script:** ( 0 minutes  2.317 seconds)


.. _sphx_glr_download_gallery_plot_gruneisen.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_gruneisen.ipynb
      :alt: Launch binder
      :width: 150 px


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

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



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

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


.. only:: html

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

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