https://github.com/romerogroup/pyprocar
Tip revision: e3db646e7a897cf9da4b2762ec3c03de85654bc5 authored by Pedram Tavadze on 18 August 2023, 12:49:54 UTC
Merge branch 'dev' of https://github.com/romerogroup/pyprocar into dev
Merge branch 'dev' of https://github.com/romerogroup/pyprocar into dev
Tip revision: e3db646
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<li class="toctree-l1 has-children"><a class="reference internal" href="00-band_structure/index.html">Band Structure</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_noncolinear_vasp.html">Plotting non colinear band structures in VASP</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_compare_bands.html">Comparing band structures</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_noncolinear_qe.html">Plotting non colinear band structures in Quantum Espresso</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_atomic_levels.html">Plotting Atomic Levels</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_spin_polarized.html">Plotting spin polarized band structures</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_colinear.html">Plotting band structure</a></li>
<li class="toctree-l2"><a class="reference internal" href="00-band_structure/plot_bandsplot_configurations.html">Plotting with Configurations in <cite>pyprocar</cite></a></li>
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<li class="toctree-l2"><a class="reference internal" href="01-dos/plot_noncolinear_dos_vasp.html">Plotting non colinear dos in VASP</a></li>
<li class="toctree-l2"><a class="reference internal" href="01-dos/plot_noncolinear_dos_qe.html">Plotting non colinear dos in Quantum Espresso</a></li>
<li class="toctree-l2"><a class="reference internal" href="01-dos/plot_colinear_dos.html">Plotting density of states</a></li>
<li class="toctree-l2"><a class="reference internal" href="01-dos/plot_spin_polarized_dos.html">Plotting spin-polarized density of states</a></li>
<li class="toctree-l2"><a class="reference internal" href="01-dos/plot_dosplot_configurations.html">Plotting with Configurations in <cite>pyprocar</cite></a></li>
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<li class="toctree-l2"><a class="reference internal" href="02-bands_dos/plot_bandsdosplot.html">Plotting bandsdosplot</a></li>
<li class="toctree-l2"><a class="reference internal" href="02-bands_dos/plot_bandsdosplot_configurations.html">Plotting bandsdosplot</a></li>
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<li class="toctree-l1 has-children"><a class="reference internal" href="03-fermi2d/index.html">Fermi 2D</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
<li class="toctree-l2"><a class="reference internal" href="03-fermi2d/plot_fermi2d_spin_texture.html">Plotting fermi2d noncolinear</a></li>
<li class="toctree-l2"><a class="reference internal" href="03-fermi2d/plot_fermi2d.html">Plotting fermi2d</a></li>
<li class="toctree-l2"><a class="reference internal" href="03-fermi2d/plot_fermi2d_configurations.html">Plotting with Configurations in <cite>pyprocar</cite></a></li>
<li class="toctree-l2"><a class="reference internal" href="03-fermi2d/plot_rashba_spin_spliting.html">Plotting rashba spin splitting</a></li>
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<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plot_fermi3d_spin_texture.html">Plotting fermi3d spin_texture</a></li>
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<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plot_fermi3d_spin-polarized.html">Plotting fermi3d spin-polarized</a></li>
<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plot_de_hass_van_alphen.html">Showing how to get van alphen fequencies from the fermi surface</a></li>
<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plot_fermi3d_configurations.html">Plotting with Configurations in <cite>pyprocar</cite></a></li>
<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plot_fermi3d_cross_section.html">Plotting fermi3d cross_section</a></li>
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<li class="toctree-l2"><a class="reference internal" href="05-other/plot_bandgap.html">Example of finding the bandgap</a></li>
<li class="toctree-l2"><a class="reference internal" href="05-other/plot_2dkmesh_generation.html">Example of kmesh_generator</a></li>
<li class="toctree-l2"><a class="reference internal" href="05-other/plot_kpath_generation.html">Example of kpath_generator</a></li>
<li class="toctree-l2"><a class="reference internal" href="05-other/plot_ebs.html">Example of finding the bandgap</a></li>
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<li class="toctree-l2"><a class="reference internal" href="06-PyPoscar/plot_clusters_pyposcar.html">Visualizing Clusters in Bi2Se3 Slab</a></li>
<li class="toctree-l2"><a class="reference internal" href="06-PyPoscar/plot_finding_defects_pyposcar.html">Finding defects in a POSCAR file</a></li>
<li class="toctree-l2"><a class="reference internal" href="06-PyPoscar/plot_rdf_cutoff_pyposcar.html">Analyzing Radial Distribution Functions (RDF)</a></li>
<li class="toctree-l2"><a class="reference internal" href="06-PyPoscar/plot_subsitution_pyposcar.html">Substituting Atoms in a POSCAR File</a></li>
<li class="toctree-l2"><a class="reference internal" href="06-PyPoscar/plot_utils_pyposcar.html">Modifying a POSCAR File: Scaling, Supercells, and Defects</a></li>
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<section id="examples">
<span id="ref-examples"></span><h1>Examples<a class="headerlink" href="#examples" title="Permalink to this heading">#</a></h1>
<p>Here is a gallery of several examples demonstrating what PyProcar can
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<h2>Band Structure<a class="headerlink" href="#band-structure" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the band structure plotting capabilities.</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="Plotting non colinear band structures in VASP."><img alt="" src="../_images/sphx_glr_plot_noncolinear_vasp_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_noncolinear_vasp.html#sphx-glr-examples-00-band-structure-plot-noncolinear-vasp-py"><span class="std std-ref">Plotting non colinear band structures in VASP</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting non colinear band structures in VASP</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Comparing band structures example."><img alt="" src="../_images/sphx_glr_plot_compare_bands_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_compare_bands.html#sphx-glr-examples-00-band-structure-plot-compare-bands-py"><span class="std std-ref">Comparing band structures</span></a></p>
<div class="sphx-glr-thumbnail-title">Comparing band structures</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting non colinear band structures in Quantum Espresso."><img alt="" src="../_images/sphx_glr_plot_noncolinear_qe_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_noncolinear_qe.html#sphx-glr-examples-00-band-structure-plot-noncolinear-qe-py"><span class="std std-ref">Plotting non colinear band structures in Quantum Espresso</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting non colinear band structures in Quantum Espresso</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to plot atomic energy levels for the compound hBN-CNCN at the GAMM..."><img alt="" src="../_images/sphx_glr_plot_atomic_levels_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_atomic_levels.html#sphx-glr-examples-00-band-structure-plot-atomic-levels-py"><span class="std std-ref">Plotting Atomic Levels</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting Atomic Levels</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting spin polarized band structures."><img alt="" src="../_images/sphx_glr_plot_spin_polarized_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_spin_polarized.html#sphx-glr-examples-00-band-structure-plot-spin-polarized-py"><span class="std std-ref">Plotting spin polarized band structures</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting spin polarized band structures</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting band structure example."><img alt="" src="../_images/sphx_glr_plot_colinear_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_colinear.html#sphx-glr-examples-00-band-structure-plot-colinear-py"><span class="std std-ref">Plotting band structure</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting band structure</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to utilize various configurations for plotting band structures usi..."><img alt="" src="../_images/sphx_glr_plot_bandsplot_configurations_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plot_bandsplot_configurations.html#sphx-glr-examples-00-band-structure-plot-bandsplot-configurations-py"><span class="std std-ref">Plotting with Configurations in pyprocar</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting with Configurations in pyprocar</div>
</div></div></section>
<section id="density-of-states">
<h2>Density of States<a class="headerlink" href="#density-of-states" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the density of states plotting capabilities.</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="Plotting non colinear dos in VASP."><img alt="" src="../_images/sphx_glr_plot_noncolinear_dos_vasp_thumb.png" />
<p><a class="reference internal" href="01-dos/plot_noncolinear_dos_vasp.html#sphx-glr-examples-01-dos-plot-noncolinear-dos-vasp-py"><span class="std std-ref">Plotting non colinear dos in VASP</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting non colinear dos in VASP</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting non colinear dos in Quantum Espresso."><img alt="" src="../_images/sphx_glr_plot_noncolinear_dos_qe_thumb.png" />
<p><a class="reference internal" href="01-dos/plot_noncolinear_dos_qe.html#sphx-glr-examples-01-dos-plot-noncolinear-dos-qe-py"><span class="std std-ref">Plotting non colinear dos in Quantum Espresso</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting non colinear dos in Quantum Espresso</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting density example."><img alt="" src="../_images/sphx_glr_plot_colinear_dos_thumb.png" />
<p><a class="reference internal" href="01-dos/plot_colinear_dos.html#sphx-glr-examples-01-dos-plot-colinear-dos-py"><span class="std std-ref">Plotting density of states</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting density of states</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting spin-polarized density of states example."><img alt="" src="../_images/sphx_glr_plot_spin_polarized_dos_thumb.png" />
<p><a class="reference internal" href="01-dos/plot_spin_polarized_dos.html#sphx-glr-examples-01-dos-plot-spin-polarized-dos-py"><span class="std std-ref">Plotting spin-polarized density of states</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting spin-polarized density of states</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to utilize various configurations for plotting the density of stat..."><img alt="" src="../_images/sphx_glr_plot_dosplot_configurations_thumb.png" />
<p><a class="reference internal" href="01-dos/plot_dosplot_configurations.html#sphx-glr-examples-01-dos-plot-dosplot-configurations-py"><span class="std std-ref">Plotting with Configurations in pyprocar</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting with Configurations in pyprocar</div>
</div></div></section>
<section id="bands-and-dos-plot">
<h2>Bands and Dos plot<a class="headerlink" href="#bands-and-dos-plot" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the bandsdosplot plotting capabilities.</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="Plotting bandsdosplot example."><img alt="" src="../_images/sphx_glr_plot_bandsdosplot_thumb.png" />
<p><a class="reference internal" href="02-bands_dos/plot_bandsdosplot.html#sphx-glr-examples-02-bands-dos-plot-bandsdosplot-py"><span class="std std-ref">Plotting bandsdosplot</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting bandsdosplot</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to utilize various configurations for plotting both band structure..."><img alt="" src="../_images/sphx_glr_plot_bandsdosplot_configurations_thumb.png" />
<p><a class="reference internal" href="02-bands_dos/plot_bandsdosplot_configurations.html#sphx-glr-examples-02-bands-dos-plot-bandsdosplot-configurations-py"><span class="std std-ref">Plotting bandsdosplot</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting bandsdosplot</div>
</div></div></section>
<section id="fermi-2d">
<h2>Fermi 2D<a class="headerlink" href="#fermi-2d" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the Fermi2D plotting capabilities.</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="Plotting fermi2d noncolinear example. For more information about fermi2d refer to fermi2d"><img alt="" src="../_images/sphx_glr_plot_fermi2d_spin_texture_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plot_fermi2d_spin_texture.html#sphx-glr-examples-03-fermi2d-plot-fermi2d-spin-texture-py"><span class="std std-ref">Plotting fermi2d noncolinear</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi2d noncolinear</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting fermi2d example."><img alt="" src="../_images/sphx_glr_plot_fermi2d_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plot_fermi2d.html#sphx-glr-examples-03-fermi2d-plot-fermi2d-py"><span class="std std-ref">Plotting fermi2d</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi2d</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to utilize various configurations for plotting the 2D Fermi surfac..."><img alt="" src="../_images/sphx_glr_plot_fermi2d_configurations_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plot_fermi2d_configurations.html#sphx-glr-examples-03-fermi2d-plot-fermi2d-configurations-py"><span class="std std-ref">Plotting with Configurations in pyprocar</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting with Configurations in pyprocar</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Plotting rashba spin splitting example. From our first paper we had an example to plot the dif..."><img alt="" src="../_images/sphx_glr_plot_rashba_spin_spliting_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plot_rashba_spin_spliting.html#sphx-glr-examples-03-fermi2d-plot-rashba-spin-spliting-py"><span class="std std-ref">Plotting rashba spin splitting</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting rashba spin splitting</div>
</div></div></section>
<section id="fermi-3d">
<h2>Fermi 3D<a class="headerlink" href="#fermi-3d" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the Fermi3D plotting capabilities.</p>
<p>Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_spin_texture_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_spin_texture.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-spin-texture-py"><span class="std std-ref">Plotting fermi3d spin_texture</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d spin_texture</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_plain_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_plain.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-plain-py"><span class="std std-ref">Plotting fermi3d plain</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d plain</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_isoslider_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_isoslider.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-isoslider-py"><span class="std std-ref">Plotting fermi3d isoslider</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d isoslider</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_isovalue_gif_thumb.gif" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_isovalue_gif.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-isovalue-gif-py"><span class="std std-ref">Plotting fermi3d isovalue_gif</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d isovalue_gif</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_spin-polarized_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_spin-polarized.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-spin-polarized-py"><span class="std std-ref">Plotting fermi3d spin-polarized</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d spin-polarized</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_de_hass_van_alphen_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_de_hass_van_alphen.html#sphx-glr-examples-04-fermi3d-plot-de-hass-van-alphen-py"><span class="std std-ref">Showing how to get van alphen fequencies from the fermi surface</span></a></p>
<div class="sphx-glr-thumbnail-title">Showing how to get van alphen fequencies from the fermi surface</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This example illustrates how to utilize various configurations for plotting the 3D Fermi surfac..."><img alt="" src="../_images/sphx_glr_plot_fermi3d_configurations_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_configurations.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-configurations-py"><span class="std std-ref">Plotting with Configurations in pyprocar</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting with Configurations in pyprocar</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="" src="../_images/sphx_glr_plot_fermi3d_cross_section_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plot_fermi3d_cross_section.html#sphx-glr-examples-04-fermi3d-plot-fermi3d-cross-section-py"><span class="std std-ref">Plotting fermi3d cross_section</span></a></p>
<div class="sphx-glr-thumbnail-title">Plotting fermi3d cross_section</div>
</div></div></section>
<section id="other">
<h2>Other<a class="headerlink" href="#other" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate other capabilities.</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="The bandgap of a calculation can be found by:"><img alt="" src="../_images/sphx_glr_plot_bandgap_thumb.png" />
<p><a class="reference internal" href="05-other/plot_bandgap.html#sphx-glr-examples-05-other-plot-bandgap-py"><span class="std std-ref">Example of finding the bandgap</span></a></p>
<div class="sphx-glr-thumbnail-title">Example of finding the bandgap</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="This utility can be used to generate a 2D k-mesh centered at a given k-point and in a given k-p..."><img alt="" src="../_images/sphx_glr_plot_2dkmesh_generation_thumb.png" />
<p><a class="reference internal" href="05-other/plot_2dkmesh_generation.html#sphx-glr-examples-05-other-plot-2dkmesh-generation-py"><span class="std std-ref">Example of kmesh_generator</span></a></p>
<div class="sphx-glr-thumbnail-title">Example of kmesh_generator</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="In order to plot a band structure, one must define a set of k-points following a desired k-path..."><img alt="" src="../_images/sphx_glr_plot_kpath_generation_thumb.png" />
<p><a class="reference internal" href="05-other/plot_kpath_generation.html#sphx-glr-examples-05-other-plot-kpath-generation-py"><span class="std std-ref">Example of kpath_generator</span></a></p>
<div class="sphx-glr-thumbnail-title">Example of kpath_generator</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="The ElectronicBandStructure is used to handle the information related to the electronic band s..."><img alt="" src="../_images/sphx_glr_plot_ebs_thumb.png" />
<p><a class="reference internal" href="05-other/plot_ebs.html#sphx-glr-examples-05-other-plot-ebs-py"><span class="std std-ref">Example of finding the bandgap</span></a></p>
<div class="sphx-glr-thumbnail-title">Example of finding the bandgap</div>
</div></div></section>
<section id="pyposcar">
<h2>PyPoscar<a class="headerlink" href="#pyposcar" title="Permalink to this heading">#</a></h2>
<p>These examples demonstrate the PyPoscar module</p>
<div class="sphx-glr-thumbnails"><div class="sphx-glr-thumbcontainer" tooltip="In this example, we'll explore the atomic clusters within a slab of Bi2Se3. The slab structure ..."><img alt="" src="../_images/sphx_glr_plot_clusters_pyposcar_thumb.gif" />
<p><a class="reference internal" href="06-PyPoscar/plot_clusters_pyposcar.html#sphx-glr-examples-06-pyposcar-plot-clusters-pyposcar-py"><span class="std std-ref">Visualizing Clusters in Bi2Se3 Slab</span></a></p>
<div class="sphx-glr-thumbnail-title">Visualizing Clusters in Bi2Se3 Slab</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="In this example, we'll demonstrate how to automatically find defects in a POSCAR file"><img alt="" src="../_images/sphx_glr_plot_finding_defects_pyposcar_thumb.gif" />
<p><a class="reference internal" href="06-PyPoscar/plot_finding_defects_pyposcar.html#sphx-glr-examples-06-pyposcar-plot-finding-defects-pyposcar-py"><span class="std std-ref">Finding defects in a POSCAR file</span></a></p>
<div class="sphx-glr-thumbnail-title">Finding defects in a POSCAR file</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="In this example, we'll explore the radial distribution functions (RDF) of an atomic structure. ..."><img alt="" src="../_images/sphx_glr_plot_rdf_cutoff_pyposcar_thumb.png" />
<p><a class="reference internal" href="06-PyPoscar/plot_rdf_cutoff_pyposcar.html#sphx-glr-examples-06-pyposcar-plot-rdf-cutoff-pyposcar-py"><span class="std std-ref">Analyzing Radial Distribution Functions (RDF)</span></a></p>
<div class="sphx-glr-thumbnail-title">Analyzing Radial Distribution Functions (RDF)</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="In this example, we'll demonstrate how to substitute atoms in a POSCAR file using the pyprocar ..."><img alt="" src="../_images/sphx_glr_plot_subsitution_pyposcar_thumb.png" />
<p><a class="reference internal" href="06-PyPoscar/plot_subsitution_pyposcar.html#sphx-glr-examples-06-pyposcar-plot-subsitution-pyposcar-py"><span class="std std-ref">Substituting Atoms in a POSCAR File</span></a></p>
<div class="sphx-glr-thumbnail-title">Substituting Atoms in a POSCAR File</div>
</div><div class="sphx-glr-thumbcontainer" tooltip="In this example, we'll demonstrate several modifications on a POSCAR file using the pyprocar pa..."><img alt="" src="../_images/sphx_glr_plot_utils_pyposcar_thumb.gif" />
<p><a class="reference internal" href="06-PyPoscar/plot_utils_pyposcar.html#sphx-glr-examples-06-pyposcar-plot-utils-pyposcar-py"><span class="std std-ref">Modifying a POSCAR File: Scaling, Supercells, and Defects</span></a></p>
<div class="sphx-glr-thumbnail-title">Modifying a POSCAR File: Scaling, Supercells, and Defects</div>
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