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

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

.. _sphx_glr_gallery_plot_scr_matrix.py:


SCR matrix
==========

This examples shows how to plot the matrix elements of the
inverse dielectric function stored in the SCR file (optdriver 3)
See also `plot_scr.py` for the optical spectrum.

.. GENERATED FROM PYTHON SOURCE LINES 10-37



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


    *

      .. image-sg:: /gallery/images/sphx_glr_plot_scr_matrix_001.png
         :alt: inverse_dielectric_function, kpoint: [+0.500, +0.000, +0.000]
         :srcset: /gallery/images/sphx_glr_plot_scr_matrix_001.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /gallery/images/sphx_glr_plot_scr_matrix_002.png
         :alt: inverse_dielectric_function, kpoint: [+0.500, +0.000, +0.000]
         :srcset: /gallery/images/sphx_glr_plot_scr_matrix_002.png
         :class: sphx-glr-multi-img

    *

      .. image-sg:: /gallery/images/sphx_glr_plot_scr_matrix_003.png
         :alt: (abs) $||\epsilon^{-1}||$ $\omega=0.1741265921124269j$, (abs) $||\epsilon^{-1}||$ $\omega=0.4505353276073309j$, (abs) $||\epsilon^{-1}||$ $\omega=0.8893068451051416j$, (abs) $||\epsilon^{-1}||$ $\omega=1.585813213554849j$, (abs) $||\epsilon^{-1}||$ $\omega=2.6914481555344656j$
         :srcset: /gallery/images/sphx_glr_plot_scr_matrix_003.png
         :class: sphx-glr-multi-img


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

 .. code-block:: none

    ======================== inverse_dielectric_function ========================
      K-point: [+0.500, +0.000, +0.000]
      Number of G-vectors: 9
      Total number of frequencies: 35 (real: 30, imaginary: 5)
      Real frequencies up to 0.73 (eV)
      Imaginary frequencies up to 2.69 (eV)






|

.. code-block:: Python

    import abipy.data as abidata
    from abipy.abilab import abiopen

    with abiopen(abidata.ref_file("sio2_SCR.nc")) as ncfile:
        #print(ncfile)
        # The SCR file contains a structure and electron bands in the IBZ.
        # We can thus use the ebands object to plot bands + DOS.
        #ncfile.ebands.plot()

        # Read e^{-1}_{G1, G2}(k, omega)

        kpoint = [0.5, 0, 0]
        em1 = ncfile.r.read_wggmat(kpoint)
        print(em1)

        gvec1 = [1, 0, 0]
        gvec2 = [-1, 0, 0]

        # Plot matrix element as function of frequency along the real axis
        em1.plot_freq(gvec1=gvec1, gvec2=gvec2, waxis="real")

        # Plot data along the imaginary axis
        # Note that gvectors can also be specifined in terms of their index.
        em1.plot_freq(gvec1=0, gvec2=0, waxis="imag")

        # Plot e^{-1}_{G1, G2} along the imaginary axis.
        em1.plot_gg(wpos="imag")


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

   **Total running time of the script:** (0 minutes 0.531 seconds)


.. _sphx_glr_download_gallery_plot_scr_matrix.py:

.. only:: html

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

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

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

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

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

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

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


.. only:: html

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

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