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

.. only:: html

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

        Click :ref:`here <sphx_glr_download_gallery_plot_lobster_files.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_lobster_files.py:


Lobster COHP/COP/DOS
====================

This example shows how to analyze the output files
produced by Lobster code <<http://schmeling.ac.rwth-aachen.de/cohp/>

Use `abiview.py lobster DIRPATH` for a command line interface.

.. GENERATED FROM PYTHON SOURCE LINES 11-33



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


    *

      .. image:: /gallery/images/sphx_glr_plot_lobster_files_001.png
          :alt: COOP + COHP + DOS
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_lobster_files_002.png
          :alt: plot lobster files
          :class: sphx-glr-multi-img

    *

      .. image:: /gallery/images/sphx_glr_plot_lobster_files_003.png
          :alt: plot lobster files
          :class: sphx-glr-multi-img


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

 Out:

 .. code-block:: none

    ================================= COOP File =================================

    COOP: Number of energies: 401, from -14.035 to 6.015 (eV) with E_fermi set 0 (was 2.298)
    has_partial_projections: True, nsppol: 1
    Number of pairs: 2
    [0] Ga@0 --> As@1
    [1] As@1 --> Ga@0

    ================================= COHP File =================================

    COHP: Number of energies: 401, from -14.035 to 6.015 (eV) with E_fermi set 0 (was 2.298)
    has_partial_projections: True, nsppol: 1
    Number of pairs: 2
    [0] Ga@0 --> As@1
    [1] As@1 --> Ga@0

    ============================== ICHOHPLIST File ==============================
    Number of pairs: 2
     index0  index1 type0 type1  spin  average distance n_bonds   pair
          0       1    Ga    As     0 -4.36062  2.49546    None (0, 1)
          1       0    As    Ga     0 -4.36062  2.49546    None (1, 0)

    =============================== Lobster DOSCAR ===============================
    Number of energies: 401, from -14.035 to 6.015 (eV) with E_fermi set to 0 (was 2.298)
    nsppol: 1
    Number of sites in projected DOS: 2
    0 --> {4s, 4p_y, 4p_z, 4p_x}
    1 --> {4s, 4p_y, 4p_z, 4p_x}


    <Figure size 640x480 with 2 Axes>





|

.. code-block:: default

    import os
    import abipy.data as abidata

    from abipy.abilab import LobsterAnalyzer

    dirpath = os.path.join(abidata.dirpath, "refs", "lobster_gaas")

    # Open the all the lobster files produced in directory dirpath
    # with the (optional) prefix GaAs_
    lobana = LobsterAnalyzer.from_dir(dirpath, prefix="GaAs_")
    print(lobana)

    # Plot COOP + COHP + DOS.
    lobana.plot(title="COOP + COHP + DOS")

    # Plot COHP for all sites in from_site_index and Lobster DOS.
    lobana.plot_coxp_with_dos(from_site_index=[0, 1])

    # Plot orbital projections.
    lobana.plot_coxp_with_dos(from_site_index=[0], with_orbitals=True)

    #lobana.plot_with_ebands(ebands="out_GSR.nc")


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

   **Total running time of the script:** ( 0 minutes  0.688 seconds)


.. _sphx_glr_download_gallery_plot_lobster_files.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_lobster_files.ipynb
      :alt: Launch binder
      :width: 150 px


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

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



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

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


.. only:: html

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

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