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

.. only:: html

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

        Click :ref:`here <sphx_glr_download_gallery_plot_phonon_fatbands.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_phonon_fatbands.py:


Phonon fatbands
===============

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

.. GENERATED FROM PYTHON SOURCE LINES 9-40



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


    *

      .. image:: /gallery/images/sphx_glr_plot_phonon_fatbands_001.png
          :alt: AlAs phonon fatbands without LO-TO splitting
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_phonon_fatbands_002.png
          :alt: AlAs phonon fatbands with PJDOS
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_phonon_fatbands_003.png
          :alt: phonon displacements at $\Gamma$, qpoint = [+0.000, +0.000, +0.000] $\Gamma$
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_phonon_fatbands_004.png
          :alt: phonon eigenvectors at $\Gamma$, qpoint = [+0.000, +0.000, +0.000] $\Gamma$
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_phonon_fatbands_005.png
          :alt: qpoint = [+0.000, +0.000, +0.000] $\Gamma$, qpoint = [+0.000, +0.000, +0.000] $\Gamma$, qpoint = [+0.000, +0.000, +0.000] $\Gamma$
          :class: sphx-glr-multi-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 3 Axes>





|

.. code-block:: default

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

    # Open the PHBST file produced by anaddb and get the phonon bands.
    with abiopen(abidata.ref_file("trf2_5.out_PHBST.nc")) as ncfile:
        phbands = ncfile.phbands

    # Plot the phonon band structure with matplotlib.
    phbands.plot_fatbands(title="AlAs phonon fatbands without LO-TO splitting")

    # For the plotly version, use:
    phbands.plotly_fatbands(title="AlAs phonon fatbands without LO-TO splitting")

    # Provide the PHDOS file path produced by anaddb.
    # sphinx_gallery_thumbnail_number = 2
    phdos_path = abidata.ref_file("trf2_5.out_PHDOS.nc")

    # Plot the phonon band structure + PJDOS with matplotlib.
    phbands.plot_fatbands(units="Thz", phdos_file=phdos_path, title="AlAs phonon fatbands with PJDOS")

    # For the plotly version, use:
    phbands.plotly_fatbands(units="Thz", phdos_file=phdos_path, title="AlAs phonon fatbands with PJDOS")

    # Plot contributions to the phonon displacement at the Gamma point grouped by atom type.
    phbands.plot_phdispl(qpoint=(0, 0, 0), units="meV", title=r"phonon displacements at $\Gamma$")

    # Plot (orthonormal) eigenvectors instead of displacements.
    phbands.plot_phdispl(qpoint=(0, 0, 0), use_eigvec=True, units="meV", title=r"phonon eigenvectors at $\Gamma$")

    # Decompose contributions along the three Cartesian directions.
    phbands.plot_phdispl_cartdirs(qpoint=(0, 0, 0), units="cm-1")


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

   **Total running time of the script:** ( 0 minutes  1.723 seconds)


.. _sphx_glr_download_gallery_plot_phonon_fatbands.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_phonon_fatbands.ipynb
      :alt: Launch binder
      :width: 150 px


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

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



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

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


.. only:: html

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

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