

.. _sphx_glr_examples_06-PyPoscar:

PyPoscar
-------------------------------

These examples demonstrate the PyPoscar module


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    <div class="sphx-glr-thumbnails">

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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we&#x27;ll explore the atomic clusters within a slab of Bi2Se3. The slab structure is formed by quintuple layers (QL) where each QL can be regarded as a cluster. We&#x27;ll:">

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  .. image:: /examples/06-PyPoscar/images/thumb/sphx_glr_plot_clusters_pyposcar_thumb.gif
    :alt:

  :ref:`sphx_glr_examples_06-PyPoscar_plot_clusters_pyposcar.py`

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      <div class="sphx-glr-thumbnail-title">Visualizing Clusters in Bi2Se3 Slab</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we&#x27;ll explore the radial distribution functions (RDF) of an atomic structure. The RDF provides insights into the probability of finding an atom at a certain distance from another. This can be useful for understanding the local environment of atoms.">

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  .. image:: /examples/06-PyPoscar/images/thumb/sphx_glr_plot_rdf_cutoff_pyposcar_thumb.png
    :alt:

  :ref:`sphx_glr_examples_06-PyPoscar_plot_rdf_cutoff_pyposcar.py`

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      <div class="sphx-glr-thumbnail-title">Analyzing Radial Distribution Functions (RDF)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we&#x27;ll demonstrate how to automatically find defects in a POSCAR file">

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  .. image:: /examples/06-PyPoscar/images/thumb/sphx_glr_plot_finding_defects_pyposcar_thumb.gif
    :alt:

  :ref:`sphx_glr_examples_06-PyPoscar_plot_finding_defects_pyposcar.py`

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      <div class="sphx-glr-thumbnail-title">Finding defects in a POSCAR file</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we&#x27;ll demonstrate how to substitute atoms in a POSCAR file using the pyprocar package.  Specifically, we will:">

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  .. image:: /examples/06-PyPoscar/images/thumb/sphx_glr_plot_subsitution_pyposcar_thumb.png
    :alt:

  :ref:`sphx_glr_examples_06-PyPoscar_plot_subsitution_pyposcar.py`

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      <div class="sphx-glr-thumbnail-title">Substituting Atoms in a POSCAR File</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we&#x27;ll demonstrate several modifications on a POSCAR file using the pyprocar package:">

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  .. image:: /examples/06-PyPoscar/images/thumb/sphx_glr_plot_utils_pyposcar_thumb.gif
    :alt:

  :ref:`sphx_glr_examples_06-PyPoscar_plot_utils_pyposcar.py`

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      <div class="sphx-glr-thumbnail-title">Modifying a POSCAR File: Scaling, Supercells, and Defects</div>
    </div>


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    </div>


.. toctree::
   :hidden:

   /examples/06-PyPoscar/plot_clusters_pyposcar
   /examples/06-PyPoscar/plot_rdf_cutoff_pyposcar
   /examples/06-PyPoscar/plot_finding_defects_pyposcar
   /examples/06-PyPoscar/plot_subsitution_pyposcar
   /examples/06-PyPoscar/plot_utils_pyposcar

