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

.. only:: html

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

        Click :ref:`here <sphx_glr_download_gallery_plot_phonons.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_phonons.py:


AlAs Phonon bands
=================

This example shows how to plot the phonon band structure of AlAs.
See tutorial/lesson_rf2.html

.. GENERATED FROM PYTHON SOURCE LINES 9-35



.. image:: /gallery/images/sphx_glr_plot_phonons_001.png
    :alt: AlAs without LO-TO splitting
    :class: sphx-glr-single-img


.. rst-class:: sphx-glr-script-out

 Out:

 .. code-block:: none

    Warning: file /Users/gmatteo/git_repos/abipy/abipy/data/refs/alas_phonons/trf2_5.out_PHBST.nc does not contain atomic_numbers.
    Particular methods need them!

    <Figure size 640x480 with 1 Axes>





|

.. code-block:: default

    from abipy.abilab import abiopen
    import abipy.data as abidata

    # Open PHBST file produced by anaddb and extract the phonon bands object.
    # (alternatively one can use the shell and `abiopen.py OUT_PHBST.nc -nb`
    # to open the file in a jupyter notebook.
    with abiopen(abidata.ref_file("trf2_5.out_PHBST.nc")) as ncfile:
        phbands = ncfile.phbands

    # Plot the phonon frequencies. Note that the labels for the q-points
    # are found automatically in an internal database.
    phbands.plot(units="cm-1", title="AlAs without LO-TO splitting")

    # Alternatively you can use the optional argument qlabels
    # that defines the mapping reduced_coordinates --> name of the q-point.
    #qlabels = {
    #    (0,0,0): "$\Gamma$",
    #    (0.375, 0.375, 0.7500): "K",
    #    (0.5, 0.5, 1.0): "X",
    #    (0.5, 0.5, 0.5): "L",
    #    (0.5, 0.0, 0.5): "X",
    #    (0.5, 0.25, 0.75): "W",
    #}

    # and pass it to the plot method:
    #phbands.plot(title="AlAs without LO-TO splitting", qlabels=qlabels)


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

   **Total running time of the script:** ( 0 minutes  0.782 seconds)


.. _sphx_glr_download_gallery_plot_phonons.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_phonons.ipynb
      :alt: Launch binder
      :width: 150 px


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

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



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

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


.. only:: html

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

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