.. only:: html

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

        Click :ref:`here <sphx_glr_download_auto_examples_plot_projected_density_plot_projected_density.py>`     to download the full example code
    .. rst-class:: sphx-glr-example-title

    .. _sphx_glr_auto_examples_plot_projected_density_plot_projected_density.py:


=================================================
Plotting projected density obtained from vasp_dos
=================================================

This example shows how to plot projected density of states


.. code-block:: default


    import os
    import numpy as np
    import matplotlib.pyplot as plt
    from pdos_overlap.vasp_dos import get_example_data
    from pdos_overlap.vasp_dos import VASP_DOS
    from pdos_overlap.plotting_tools import set_figure_settings








Load DOSCAR file
----------------

First we will, get the example data, load a DOSCAR file and use it to
instantiate a VASP_DOS object.


.. code-block:: default


    set_figure_settings('paper')
    example_path = get_example_data()
    DOSCAR = os.path.join(example_path, 'C2H4/DOSCAR')
    PDOS = VASP_DOS(DOSCAR)








Obtain projected density
------------------------

We get the site and spin orbital projected density. We sum the individual
spin orbital densities to get energy sub-level site projected densities.


.. code-block:: default


    orbitals, projected_density = PDOS.get_site_dos(atom_indices=np.arange(-6,0)\
                                                , orbital_list=['s', 'p', 'd']\
                                          , sum_density = True)








Plot projected density
----------------------

We plot the projected density with the fermi-level indicated.


.. code-block:: default


    plt.figure(figsize=(3,3))
    colors = ['b','g','r']
    zorder = [2,3,4]
    for count, density in enumerate(projected_density):
        plt.plot(density, PDOS.get_energies(), colors[count], zorder=zorder[count])
    plt.plot([np.min(projected_density), np.max(projected_density)]\
             ,[PDOS.e_fermi, PDOS.e_fermi],'k--', zorder=1, linewidth=5)
    plt.legend([i for i in orbitals]+ ['fermi level'])
    plt.xlabel('State density')
    plt.ylabel('Energy [eV]')
    plt.show()




.. image:: /auto_examples/plot_projected_density/images/sphx_glr_plot_projected_density_001.png
    :class: sphx-glr-single-img


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

 Out:

 .. code-block:: none

    C:\Users\lansf\Box Sync\Synced_Files\Coding\Python\Github\pdos_overlap\examples\plot_projected_density\plot_projected_density.py:56: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
      plt.show()





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

   **Total running time of the script:** ( 0 minutes  1.038 seconds)


.. _sphx_glr_download_auto_examples_plot_projected_density_plot_projected_density.py:


.. only :: html

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



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

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



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

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


.. only:: html

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

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