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

.. only:: html

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

        Click :ref:`here <sphx_glr_download_gallery_plot_edos_vs_broad.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_edos_vs_broad.py:


Multiple e-DOSes
================

This example shows how to compute and plot multiple
electron DOSes obtained with different values of the gaussian broadening.

.. GENERATED FROM PYTHON SOURCE LINES 9-39



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


    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_001.png
          :alt: e-DOS as function of the Gaussian broadening
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_002.png
          :alt: gridplot version, $\sigma = 0.1$ (eV), $\sigma = 0.2$ (eV), $\sigma = 0.3$ (eV)
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_003.png
          :alt: plot edos vs broad
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_004.png
          :alt: plot edos vs broad
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_005.png
          :alt: gridplot version, $\sigma = 0.1$ (eV), $\sigma = 0.2$ (eV), $\sigma = 0.3$ (eV)
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_edos_vs_broad_006.png
          :alt: $\sigma = 0.1$ (eV), $\sigma = 0.2$ (eV), $\sigma = 0.3$ (eV)
          :class: sphx-glr-multi-img


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

 Out:

 .. code-block:: none


    <Figure size 640x480 with 4 Axes>





|

.. code-block:: default

    import abipy.data as abidata

    from abipy import abilab

    # Open the wavefunction file computed with a homogeneous sampling of the BZ
    # and extract the band structure on the k-mesh.
    with abilab.abiopen(abidata.ref_file("si_scf_WFK.nc")) as gs_wfk:
        gs_bands = gs_wfk.ebands

    # Compute the DOS with different values of the Gaussian smearing.
    widths = [0.1, 0.2, 0.3]

    edos_plotter = gs_bands.compare_gauss_edos(widths, step=0.1)

    # Invoke ElectronDosPlotter methods to plot results.
    edos_plotter.combiplot(title="e-DOS as function of the Gaussian broadening")

    edos_plotter.gridplot(title="gridplot version")

    with abilab.abiopen(abidata.ref_file("ni_666k_GSR.nc")) as gsr:
        ni_ebands_kmesh = gsr.ebands

    edos_plotter = ni_ebands_kmesh.compare_gauss_edos(widths=[0.1, 0.2, 0.3], step=0.2)

    title = "e-DOS as function of the Gaussian broadening"
    edos_plotter.combiplot(dos_mode="idos+dos")
    edos_plotter.combiplot(dos_mode="dos", spin_mode="resolved")

    edos_plotter.gridplot(title="gridplot version")
    edos_plotter.gridplot(spin_mode="resolved")


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

   **Total running time of the script:** ( 0 minutes  0.857 seconds)


.. _sphx_glr_download_gallery_plot_edos_vs_broad.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_edos_vs_broad.ipynb
      :alt: Launch binder
      :width: 150 px


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

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



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

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


.. only:: html

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

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