.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "gallery/plot_lumi_1D_Eu_doped.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_lumi_1D_Eu_doped.py>`
        to download the full example code.

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

.. _sphx_glr_gallery_plot_lumi_1D_Eu_doped.py:


Luminescent properties (1D-CCM)
===============================

This example shows how to post-process the results of a LumiWork
following a one-dimensional configuration coordinate model (1D-CCM).
Based on a Eu-doped phosphor SrAlLi3N4:Eu presenting two non-equivalent sites for Eu.

See also examples/flows/run_lumi_Eu_doped_SLA.py

.. GENERATED FROM PYTHON SOURCE LINES 14-15

Read the 4 points netcdf file produced by the two LumiWork

.. GENERATED FROM PYTHON SOURCE LINES 15-35

.. code-block:: Python


    from abipy.lumi.deltaSCF import DeltaSCF
    import abipy.data as abidata
    import pandas as pd
    import abipy.abilab as abilab

    SLA_site_1 = DeltaSCF.from_four_points_file([
        abidata.ref_file("site_1_relaxed_gs_out_GSR.nc"),
        abidata.ref_file("site_1_unrelaxed_ex_out_GSR.nc"),
        abidata.ref_file("site_1_relaxed_ex_out_GSR.nc"),
        abidata.ref_file("site_1_unrelaxed_gs_out_GSR.nc")
    ])

    SLA_site_2 = DeltaSCF.from_four_points_file([
        abidata.ref_file("site_2_relaxed_gs_out_GSR.nc"),
        abidata.ref_file("site_2_unrelaxed_ex_out_GSR.nc"),
        abidata.ref_file("site_2_relaxed_ex_out_GSR.nc"),
        abidata.ref_file("site_2_unrelaxed_gs_out_GSR.nc")
    ])








.. GENERATED FROM PYTHON SOURCE LINES 36-37

To plot the luminescence lineshape following the one effective phonon mode model at 0K

.. GENERATED FROM PYTHON SOURCE LINES 37-45

.. code-block:: Python


    SLA_site_1.plot_lineshape_1D_zero_temp(
        energy_range=[0.5,3],
        max_m=20,
        phonon_width=0.02,
        with_omega_cube=True,
        normalized='Area');




.. image-sg:: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_001.png
   :alt: plot lumi 1D Eu doped
   :srcset: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_001.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 46-47

To get a panda dataframe with the main results:

.. GENERATED FROM PYTHON SOURCE LINES 47-53

.. code-block:: Python

    dataframes = []
    df_1 = SLA_site_1.get_dataframe('Site_1')
    df_2 = SLA_site_2.get_dataframe('Site_2')

    pd.concat([df_1,df_2])








.. GENERATED FROM PYTHON SOURCE LINES 54-55

To plot the magnitude of the displacements

.. GENERATED FROM PYTHON SOURCE LINES 55-57

.. code-block:: Python

    SLA_site_1.plot_delta_R_distance(defect_symbol="Eu")




.. image-sg:: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_002.png
   :alt: plot lumi 1D Eu doped
   :srcset: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_002.png
   :class: sphx-glr-single-img





.. GENERATED FROM PYTHON SOURCE LINES 58-59

To draw the configuration coordinates diagram.

.. GENERATED FROM PYTHON SOURCE LINES 59-61

.. code-block:: Python

    SLA_site_1.draw_displaced_parabolas(scale_eff_freq=2.5);
    SLA_site_2.draw_displaced_parabolas(scale_eff_freq=2.5);



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


    *

      .. image-sg:: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_003.png
         :alt: plot lumi 1D Eu doped
         :srcset: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_003.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_004.png
         :alt: plot lumi 1D Eu doped
         :srcset: /gallery/images/sphx_glr_plot_lumi_1D_Eu_doped_004.png
         :class: sphx-glr-multi-img






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

   **Total running time of the script:** (0 minutes 1.089 seconds)


.. _sphx_glr_download_gallery_plot_lumi_1D_Eu_doped.py:

.. only:: html

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

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

      :download:`Download Jupyter notebook: plot_lumi_1D_Eu_doped.ipynb <plot_lumi_1D_Eu_doped.ipynb>`

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

      :download:`Download Python source code: plot_lumi_1D_Eu_doped.py <plot_lumi_1D_Eu_doped.py>`

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

      :download:`Download zipped: plot_lumi_1D_Eu_doped.zip <plot_lumi_1D_Eu_doped.zip>`


.. only:: html

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

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