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

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

.. _sphx_glr_gallery_plot_ebands_spin.py:


Spin-polarized e-bands
======================

This example shows how to plot the band structure of nickel
using the eigenvalues stored in the GSR file produced at the end of the GS run.

.. GENERATED FROM PYTHON SOURCE LINES 9-29

.. code-block:: Python


    import abipy.data as abidata
    from abipy import abilab

    # Open the GSR file and extract the band structure.
    # (alternatively one can use the shell and `abiopen.py OUT_GSR.nc -nb`
    # to open the file in a jupyter notebook.
    with abilab.abiopen(abidata.ref_file("ni_666k_GSR.nc")) as ncfile:
        ni_ebands_kmesh = ncfile.ebands

    with abilab.abiopen(abidata.ref_file("ni_kpath_GSR.nc")) as ncfile:
        ni_ebands_kpath = ncfile.ebands

    # Energy limits in eV for plots. The pseudo contains semi-core states but
    # we are not interested in this energy region. Fermi level set to zero.
    elims = [-10, 2]

    # Plot band energies on k-path
    ni_ebands_kpath.plot(ylims=elims, title="Ni band structure")




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_spin_001.png
   :alt: Ni band structure
   :srcset: /gallery/images/sphx_glr_plot_ebands_spin_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 30-31

Plot energies on k-path + DOS with plotly

.. GENERATED FROM PYTHON SOURCE LINES 31-36

.. code-block:: Python

    ni_ebands_kpath.plotly(ylims=elims, title="Ni band structure")

    # Compute DOS with Gaussian method.
    ni_edos = ni_ebands_kmesh.get_edos()








.. GENERATED FROM PYTHON SOURCE LINES 37-38

Plot energies on k-path + DOS with matplotlib

.. GENERATED FROM PYTHON SOURCE LINES 38-40

.. code-block:: Python

    ni_ebands_kpath.plot_with_edos(ni_edos, ylims=elims, title="Ni band structure + DOS")




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_spin_002.png
   :alt: Ni band structure + DOS
   :srcset: /gallery/images/sphx_glr_plot_ebands_spin_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 41-42

Plot energies on k-path + DOS with plotly

.. GENERATED FROM PYTHON SOURCE LINES 42-49

.. code-block:: Python

    ni_ebands_kpath.plotly_with_edos(ni_edos, ylims=elims, title="Ni band structure + DOS")

    # Plot electronic DOS.
    # ni_edos.plot_dos_idos(xlims=elims)
    # ni_edos.plot(xlims=elims)
    # ni_edos.plot_up_minus_down(xlims=elims)








.. GENERATED FROM PYTHON SOURCE LINES 50-51

matplotlib box plot for 10 > band >= 5

.. GENERATED FROM PYTHON SOURCE LINES 51-53

.. code-block:: Python

    ni_ebands_kpath.boxplot(brange=[5, 10], title="Boxplot for up and down spin and 10 > band >= 5")




.. image-sg:: /gallery/images/sphx_glr_plot_ebands_spin_003.png
   :alt: Boxplot for up and down spin and 10 > band >= 5
   :srcset: /gallery/images/sphx_glr_plot_ebands_spin_003.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 54-55

For the plotly version, use:

.. GENERATED FROM PYTHON SOURCE LINES 55-58

.. code-block:: Python

    ni_ebands_kpath.boxplotly(brange=[5, 10], title="Boxplot for up and down spin and 10 > band >= 5")









.. GENERATED FROM PYTHON SOURCE LINES 59-60

Now we use ElectronBandsPlotter to analyze multiple ElectronBands object

.. GENERATED FROM PYTHON SOURCE LINES 60-74

.. code-block:: Python

    plotter = abilab.ElectronBandsPlotter()
    plotter.add_ebands("k-mesh", ni_ebands_kmesh)
    plotter.add_ebands("k-path", ni_ebands_kpath)

    # Energy window in eV around the Fermi level.
    ylims = [-10, 5]

    # plotter.combiplot(ylims=ylims)
    plotter.gridplot(ylims=ylims)

    plotter.gridplotly(ylims=ylims)

    # plotter.boxplot(brange=[5, 10])
    plotter.combiboxplot(brange=[5, 10])



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


    *

      .. image-sg:: /gallery/images/sphx_glr_plot_ebands_spin_004.png
         :alt: k-mesh, k-path
         :srcset: /gallery/images/sphx_glr_plot_ebands_spin_004.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /gallery/images/sphx_glr_plot_ebands_spin_005.png
         :alt: plot ebands spin
         :srcset: /gallery/images/sphx_glr_plot_ebands_spin_005.png
         :class: sphx-glr-multi-img






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

   **Total running time of the script:** (0 minutes 1.527 seconds)


.. _sphx_glr_download_gallery_plot_ebands_spin.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_spin.ipynb <plot_ebands_spin.ipynb>`

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

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

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

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


.. only:: html

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

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