.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "gallery/plot_phbands_and_dos.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_phbands_and_dos.py>`
        to download the full example code.

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

.. _sphx_glr_gallery_plot_phbands_and_dos.py:


Phonon band structures with LO-TO
=================================

This example shows how to plot the phonon band structure of AlAs.
without the LO-TO splitting.
See also tutorial/lesson_rf2.html

.. GENERATED FROM PYTHON SOURCE LINES 12-15

Open the PHBST file produced by anaddb and get the phonon bands.
Note that the treatment of the LO-TO splitting for q--> 0 requires
additional steps. See `plot_phonons_lo_to.py`.

.. GENERATED FROM PYTHON SOURCE LINES 15-22

.. code-block:: Python


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

    with abiopen(abidata.ref_file("trf2_5.out_PHBST.nc")) as ncfile:
        phbands = ncfile.phbands





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

 .. code-block:: none

    Warning: file /home/runner/work/abipy/abipy/abipy/data/refs/alas_phonons/trf2_5.out_PHBST.nc does not contain atomic_numbers.
    Particular methods need them!




.. GENERATED FROM PYTHON SOURCE LINES 23-24

Read the Phonon DOS from the netcd file produced by anaddb (prtdos 2)

.. GENERATED FROM PYTHON SOURCE LINES 24-28

.. code-block:: Python


    with abiopen(abidata.ref_file("trf2_5.out_PHDOS.nc")) as ncfile:
        phdos = ncfile.phdos








.. GENERATED FROM PYTHON SOURCE LINES 29-30

Plot phonon bands and DOS with matplotib:

.. GENERATED FROM PYTHON SOURCE LINES 30-33

.. code-block:: Python


    phbands.plot(title="AlAs Phonon bands and DOS in eV")




.. image-sg:: /gallery/images/sphx_glr_plot_phbands_and_dos_001.png
   :alt: AlAs Phonon bands and DOS in eV
   :srcset: /gallery/images/sphx_glr_plot_phbands_and_dos_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 34-35

For the plotly version use:

.. GENERATED FROM PYTHON SOURCE LINES 35-38

.. code-block:: Python


    phbands.plotly(title="AlAs Phonon bands and DOS in eV")








.. GENERATED FROM PYTHON SOURCE LINES 39-40

To plot phonon bands and phonon DOS with matplotlib use:

.. GENERATED FROM PYTHON SOURCE LINES 40-44

.. code-block:: Python


    phbands.plot_with_phdos(phdos, units="cm-1",
                            title="AlAs Phonon bands + DOS in cm-1")




.. image-sg:: /gallery/images/sphx_glr_plot_phbands_and_dos_002.png
   :alt: AlAs Phonon bands + DOS in cm-1
   :srcset: /gallery/images/sphx_glr_plot_phbands_and_dos_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 45-46

For the plotly version use:

.. GENERATED FROM PYTHON SOURCE LINES 46-50

.. code-block:: Python


    phbands.plotly_with_phdos(phdos, units="cm-1",
                              title="AlAs Phonon bands + DOS in cm-1")








.. GENERATED FROM PYTHON SOURCE LINES 51-52

Plot the phonon band structure with different color for each line (matplotlib version).

.. GENERATED FROM PYTHON SOURCE LINES 52-57

.. code-block:: Python


    phbands.plot_colored_matched(units="cm-1",
                                 title="AlAs with different color for each line.")





.. image-sg:: /gallery/images/sphx_glr_plot_phbands_and_dos_003.png
   :alt: AlAs with different color for each line.
   :srcset: /gallery/images/sphx_glr_plot_phbands_and_dos_003.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 58-60

Use seaborn and matplotlib to draw a box plot showing the distribution
of the phonon frequencies with respect to the mode index.

.. GENERATED FROM PYTHON SOURCE LINES 60-63

.. code-block:: Python


    phbands.boxplot(units="meV")




.. image-sg:: /gallery/images/sphx_glr_plot_phbands_and_dos_004.png
   :alt: plot phbands and dos
   :srcset: /gallery/images/sphx_glr_plot_phbands_and_dos_004.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 64-65

For the plotly version use:

.. GENERATED FROM PYTHON SOURCE LINES 65-67

.. code-block:: Python


    phbands.boxplotly(units="meV")








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

   **Total running time of the script:** (0 minutes 0.641 seconds)


.. _sphx_glr_download_gallery_plot_phbands_and_dos.py:

.. only:: html

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

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

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

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

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

    .. container:: sphx-glr-download sphx-glr-download-zip

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


.. only:: html

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

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