.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "user-guide/conventions/bravais-lattices/2_sc/plot_04_TET.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

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

        :ref:`Go to the end <sphx_glr_download_user-guide_conventions_bravais-lattices_2_sc_plot_04_TET.py>`
        to download the full example code.

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

.. _sphx_glr_user-guide_conventions_bravais-lattices_2_sc_plot_04_TET.py:


TET
***

Tetragonal cell is defined by two parameters :math:`a` and :math:`c`.



Cell constructor
================

To get an example of the cell use :py:func:`wulfric.cell.SC_TET`.

:py:func:`wulfric.cell.sc_get_example` returns an example where
:math:`a = \pi` and :math:`c = 1.5\pi`.

.. GENERATED FROM PYTHON SOURCE LINES 37-58

.. code-block:: Python


    import wulfric

    cell = wulfric.cell.sc_get_example("TET")
    atoms = dict(positions=[[0, 0, 0]], spglib_types=[1])

    # To avoid multiple calls to spglib one can do it once and then pass spglib_data
    # to the functions where it is needed
    spglib_data = wulfric.get_spglib_data(cell=cell, atoms=atoms)

    kp = wulfric.Kpoints.from_crystal(cell=cell, atoms=atoms, convention="SC")

    conv_cell, conv_atoms = wulfric.crystal.get_conventional(
        cell=cell, atoms=atoms, convention="SC", spglib_data=spglib_data
    )

    prim_cell, prim_atoms = wulfric.crystal.get_primitive(
        cell=cell, atoms=atoms, convention="SC", spglib_data=spglib_data
    )









.. GENERATED FROM PYTHON SOURCE LINES 59-61

K-path
======

.. GENERATED FROM PYTHON SOURCE LINES 61-64

.. code-block:: Python


    print(kp.path_string)





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

 .. code-block:: none

    GAMMA-X-M-GAMMA-Z-R-A-Z|X-R|M-A




.. GENERATED FROM PYTHON SOURCE LINES 65-67

High-symmetry points
====================

.. GENERATED FROM PYTHON SOURCE LINES 67-70

.. code-block:: Python


    print(kp.hs_table(decimals=4))





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

 .. code-block:: none

    Name    rel_b1  rel_b2  rel_b3      k_x     k_y     k_z
    GAMMA   0.0000  0.0000  0.0000   0.0000  0.0000  0.0000
    A       0.5000  0.5000  0.5000   1.0000  1.0000  0.6667
    M       0.5000  0.5000  0.0000   1.0000  1.0000  0.0000
    R       0.0000  0.5000  0.5000   0.0000  1.0000  0.6667
    X       0.0000  0.5000  0.0000   0.0000  1.0000  0.0000
    Z       0.0000  0.0000  0.5000   0.0000  0.0000  0.6667




.. GENERATED FROM PYTHON SOURCE LINES 71-73

Brillouin zone and default k-path
=================================

.. GENERATED FROM PYTHON SOURCE LINES 73-88

.. code-block:: Python


    pe = wulfric.PlotlyEngine(_sphinx_gallery_fix=True)

    pe.plot_brillouin_zone(
        cell=prim_cell, color="red", legend_label="Brillouin zone of the primitive cell"
    )
    pe.plot_brillouin_zone(
        cell=cell, color="chocolate", legend_label="Brillouin zone of the original cell"
    )
    pe.plot_kpath(kp=kp)
    pe.plot_kpoints(kp=kp, only_from_kpath=True)

    pe.show(axes_visible=False)







.. raw:: html

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    <br />
    <br />

.. GENERATED FROM PYTHON SOURCE LINES 89-94

Cells of real space
===================

.. hint
    Click on the legend to hide some of the cells

.. GENERATED FROM PYTHON SOURCE LINES 94-106

.. code-block:: Python


    pe = wulfric.PlotlyEngine(_sphinx_gallery_fix=True)

    pe.plot_cell(cell=cell, legend_label="Original cell", color="Chocolate")
    pe.plot_cell(cell=prim_cell, legend_label="Primitive cell", color="Black")
    pe.plot_cell(cell=conv_cell, legend_label="Conventional cell", color="Blue")
    pe.plot_wigner_seitz_cell(
        cell=prim_cell, legend_label="Wigner-Seitz cell", color="green"
    )

    pe.show(axes_visible=False)






.. raw:: html

    <div class="output_subarea output_html rendered_html output_result">
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.. GENERATED FROM PYTHON SOURCE LINES 107-112

Edge cases
==========

If :math:`a = c`, then the lattice is
:ref:`sphx_glr_user-guide_conventions_bravais-lattices_2_sc_plot_01_CUB.py`.


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

   **Total running time of the script:** (0 minutes 1.331 seconds)


.. _sphx_glr_download_user-guide_conventions_bravais-lattices_2_sc_plot_04_TET.py:

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

      :download:`Download Jupyter notebook: plot_04_TET.ipynb <plot_04_TET.ipynb>`

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

      :download:`Download Python source code: plot_04_TET.py <plot_04_TET.py>`

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

      :download:`Download zipped: plot_04_TET.zip <plot_04_TET.zip>`


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