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

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

.. _sphx_glr_gallery_plot_ebands_grid.py:


ElectronBandsPlotter
====================

This example shows how to plot several band structures on a grid.

We use two GSR files:

    si_scf_GSR.n: energies on a homogeneous sampling of the BZ (can be used to compute DOS)
    si_nscf_GSR.nc: energies on a k-path in the BZ (used to plot the band dispersion)

.. GENERATED FROM PYTHON SOURCE LINES 13-25

.. code-block:: Python

    from abipy.abilab import ElectronBandsPlotter
    from abipy.data import ref_file

    # To plot a grid with two band structures:
    plotter = ElectronBandsPlotter()
    plotter.add_ebands("BZ sampling", ref_file("si_scf_GSR.nc"))
    plotter.add_ebands("k-path", ref_file("si_nscf_GSR.nc"))

    # Get pandas dataframe
    frame = plotter.get_ebands_frame()
    print(frame)





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

 .. code-block:: none

                 nsppol  ...                        dirgap_kend
    BZ sampling       1  ...           [+0.000, +0.000, +0.000]
    k-path            1  ...  $\Gamma$ [+0.000, +0.000, +0.000]

    [2 rows x 31 columns]




.. GENERATED FROM PYTHON SOURCE LINES 26-27

To create a grid plot use:

.. GENERATED FROM PYTHON SOURCE LINES 27-29

.. code-block:: Python

    plotter.gridplot(with_gaps=True)




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_grid_001.png
   :alt: Si$_{2}$: $E^{dir}_{gap}$ = 2.53, $E^{fund}_{gap}$ = 0.56 (eV), Si$_{2}$: $E^{dir}_{gap}$ = 2.53, $E^{fund}_{gap}$ = 0.52 (eV)
   :srcset: /gallery/images/sphx_glr_plot_ebands_grid_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 30-31

Plotly version:

.. GENERATED FROM PYTHON SOURCE LINES 31-33

.. code-block:: Python

    plotter.gridplotly(with_gaps=True)








.. GENERATED FROM PYTHON SOURCE LINES 34-38

To plot a grid with band structures + DOS, use the optional argument `edos_objects`
The first subplot gets the band dispersion from eb_objects[0] and the DOS from edos_objects[0]
edos_kwargs is an optional dictionary passed to `get_dos` to compute the DOS.


.. GENERATED FROM PYTHON SOURCE LINES 38-48

.. code-block:: Python


    eb_objects = 2 * [ref_file("si_nscf_GSR.nc")]
    edos_objects = 2 * [ref_file("si_scf_GSR.nc")]

    plotter = ElectronBandsPlotter()
    plotter.add_ebands("Si", ref_file("si_nscf_GSR.nc"), edos=ref_file("si_scf_GSR.nc"))
    plotter.add_ebands("Same data", ref_file("si_nscf_GSR.nc"), edos=ref_file("si_scf_GSR.nc"))
    # sphinx_gallery_thumbnail_number = 2
    plotter.gridplot()




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_grid_002.png
   :alt: Si, Same data
   :srcset: /gallery/images/sphx_glr_plot_ebands_grid_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 49-50

Plotly version:

.. GENERATED FROM PYTHON SOURCE LINES 50-51

.. code-block:: Python

    plotter.gridplotly()








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

   **Total running time of the script:** (0 minutes 1.546 seconds)


.. _sphx_glr_download_gallery_plot_ebands_grid.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_grid.ipynb <plot_ebands_grid.ipynb>`

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

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

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

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


.. only:: html

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

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