.. 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

        :ref:`Go to the end <sphx_glr_download_gallery_plot_gruneisen.py>`
        to download the full example code.

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

    *

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

    *

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

    *

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

    *

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

    *

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





.. code-block:: Python

    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_phdoses(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 + PHDOSes")

    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_phdoses=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 1.161 seconds)


.. _sphx_glr_download_gallery_plot_gruneisen.py:

.. only:: html

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

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

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

    .. 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-zip

      :download:`Download zipped: plot_gruneisen.zip <plot_gruneisen.zip>`


.. only:: html

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

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