
.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "examples\01-dos\plot_colinear_dos.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

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

        :ref:`Go to the end <sphx_glr_download_examples_01-dos_plot_colinear_dos.py>`
        to download the full example code.

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

.. _sphx_glr_examples_01-dos_plot_colinear_dos.py:


.. _ref_plotting_colinear_dos:

Plotting density of states
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Plotting density example.

First download the example files with the code below. Then replace data_dir below.

.. code-block::
   :caption: Downloading example

    data_dir = pyprocar.download_example(save_dir='', 
                                material='SrVO3',
                                code='vasp', 
                                spin_calc_type='non-spin-polarized',
                                calc_type='fermi')

.. GENERATED FROM PYTHON SOURCE LINES 24-25

importing pyprocar and specifying local data_dir

.. GENERATED FROM PYTHON SOURCE LINES 25-31

.. code-block:: Python

    import os
    import pyprocar

    data_dir = f"{pyprocar.utils.ROOT}{os.sep}data{os.sep}examples{os.sep}SrVO3{os.sep}vasp{os.sep}non-spin-polarized{os.sep}fermi"









.. GENERATED FROM PYTHON SOURCE LINES 32-34

Plain mode
+++++++++++++++++++++++++++++++++++++++

.. GENERATED FROM PYTHON SOURCE LINES 34-41

.. code-block:: Python


    pyprocar.dosplot(
                    code='vasp', 
                    mode='plain',
                    fermi=5.3017,
                    dirname=data_dir)




.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_001.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_001.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------
    C:\Users\lllang\miniconda3\envs\pyprocar_dev\lib\site-packages\spglib\spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['wyckoffs']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
      warnings.warn(

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 42-49

Parametric mode
+++++++++++++++++++++++++++++++++++++++

For details on the meaning of the indices of the atomic projection please refer to the user guide :ref:'atomic_projections'




.. GENERATED FROM PYTHON SOURCE LINES 49-63

.. code-block:: Python

    atoms=[0,1,2,3,4]
    orbitals=[4,5,6,7,8]
    spins=[0]

    pyprocar.dosplot(
                    code='vasp', 
                    mode='parametric',
                    fermi=5.3017,
                    atoms=atoms,
                    orbitals=orbitals,
                    clim=[0,1],
                    spins=spins,
                    dirname=data_dir)




.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_002.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_002.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------

    (<Figure size 900x600 with 2 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 64-71

parametric_line mode
+++++++++++++++++++++++++++++++++++++++

For details on the meaning of the indices of the atomic projection please refer to the user guide :ref:'atomic_projections'




.. GENERATED FROM PYTHON SOURCE LINES 71-87

.. code-block:: Python

    atoms=[0,1,2,3,4]
    orbitals=[4,5,6,7,8]
    spins=[0]

    pyprocar.dosplot(
                    code='vasp', 
                    mode='parametric_line',
                    fermi=5.3017,
                    atoms=atoms,
                    orbitals=orbitals,
                    clim=[0,1],
                    spins=spins,
                    dirname=data_dir)






.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_003.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_003.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------

    (<Figure size 900x600 with 2 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 88-93

stack_species mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 93-104

.. code-block:: Python

    orbitals=[4,5,6,7,8]
    spins=[0]

    pyprocar.dosplot(
                    code='vasp', 
                    mode='stack_species',
                    fermi=5.3017,
                    orbitals=orbitals,
                    spins=spins,
                    dirname=data_dir)




.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_004.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_004.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------
    The plot only considers orbitals [4, 5, 6, 7, 8]

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 105-110

stack_orbtials mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 110-121

.. code-block:: Python

    atoms=[2,3,4]
    spins=[0]
    pyprocar.dosplot(
                    code='vasp', 
                    mode='stack_orbitals',
                    fermi=5.3017,
                    atoms=atoms,
                    spins=spins,
                    dirname=data_dir)





.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_005.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_005.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------
    The plot only considers atoms ['O' 'O' 'O']

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 122-127

stack mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 127-137

.. code-block:: Python


    items=dict(Sr=[0],O=[1,2,3],V=[4,5,6,7,8])
    pyprocar.dosplot(
                    code='vasp', 
                    mode='stack',
                    fermi=5.3017,
                    items=items,
                    dirname=data_dir)





.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_006.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_006.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 138-143

overlay_species mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 143-154

.. code-block:: Python

    orbitals=[4,5,6,7,8]
    spins=[0]

    pyprocar.dosplot(
                    code='vasp', 
                    mode='overlay_species',
                    fermi=5.3017,
                    orbitals=orbitals,
                    spins=spins,
                    dirname=data_dir)




.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_007.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_007.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------
    The plot only considers orbitals [4, 5, 6, 7, 8]

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 155-160

overlay_orbtials mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 160-171

.. code-block:: Python

    atoms=[0]
    spins=[0]
    pyprocar.dosplot(
                    code='vasp', 
                    mode='overlay_orbitals',
                    fermi=5.3017,
                    atoms=atoms,
                    spins=spins,
                    dirname=data_dir)





.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_008.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_008.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------
    The plot only considers atoms ['Sr']

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)



.. GENERATED FROM PYTHON SOURCE LINES 172-177

overlay mode
+++++++++++++++++++++++++++++++++++++++




.. GENERATED FROM PYTHON SOURCE LINES 177-185

.. code-block:: Python


    items=dict(Sr=[0],O=[1,2,3],V=[4,5,6,7,8])
    pyprocar.dosplot(
                    code='vasp', 
                    mode='overlay',
                    fermi=5.3017,
                    items=items,
                    dirname=data_dir)



.. image-sg:: /examples/01-dos/images/sphx_glr_plot_colinear_dos_009.png
   :alt: plot colinear dos
   :srcset: /examples/01-dos/images/sphx_glr_plot_colinear_dos_009.png
   :class: sphx-glr-single-img


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

 .. code-block:: none


                --------------------------------------------------------
                There are additional plot options that are defined in a configuration file. 
                You can change these configurations by passing the keyword argument to the function
                To print a list of plot options set print_plot_opts=True

                Here is a list modes : plain , parametric , parameteric_line , stack , stack_orbitals , stack_species , overlay , overlay_orbitals , overlay_species
                --------------------------------------------------------

    (<Figure size 900x600 with 1 Axes>, <Axes: xlabel='Energy - E$_F$ (eV)', ylabel='DOS'>)




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

   **Total running time of the script:** (0 minutes 4.184 seconds)


.. _sphx_glr_download_examples_01-dos_plot_colinear_dos.py:

.. only:: html

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

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

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

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

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

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

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


.. only:: html

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

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