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

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

.. _sphx_glr_gallery_plot_ebands_edos.py:


Bands + DOS
===========

This example shows how to compute the DOS and plot a
band structure with DOS using two GSR files.

.. GENERATED FROM PYTHON SOURCE LINES 9-22

.. code-block:: Python

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

    # Open the file with energies computed on a k-path in the BZ
    # and extract the band structure object.
    with abiopen(abidata.ref_file("si_nscf_GSR.nc")) as nscf_file:
        nscf_ebands = nscf_file.ebands

    # Open the file with energies computed with a homogeneous sampling of the BZ
    # and extract the band structure object.
    with abiopen(abidata.ref_file("si_scf_GSR.nc")) as gs_file:
        gs_ebands = gs_file.ebands








.. GENERATED FROM PYTHON SOURCE LINES 23-25

Compute the DOS with the Gaussian method (use default values for
the broadening and the step of the linear mesh.

.. GENERATED FROM PYTHON SOURCE LINES 25-28

.. code-block:: Python


    edos = gs_ebands.get_edos()








.. GENERATED FROM PYTHON SOURCE LINES 29-30

To plot bands and DOS with matplotlib use:

.. GENERATED FROM PYTHON SOURCE LINES 30-33

.. code-block:: Python


    nscf_ebands.plot_with_edos(edos, with_gaps=True, title="Si Electron bands + DOS")




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_edos_001.png
   :alt: Si Electron bands + DOS, Si$_{2}$: $E^{dir}_{gap}$ = 2.53, $E^{fund}_{gap}$ = 0.52 (eV)
   :srcset: /gallery/images/sphx_glr_plot_ebands_edos_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 34-35

For the plotly version use:

.. GENERATED FROM PYTHON SOURCE LINES 35-37

.. code-block:: Python


    nscf_ebands.plotly_with_edos(edos, with_gaps=True, title="Si Electron bands + DOS")








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

   **Total running time of the script:** (0 minutes 0.476 seconds)


.. _sphx_glr_download_gallery_plot_ebands_edos.py:

.. only:: html

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

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

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

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

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

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

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


.. only:: html

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

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