https://github.com/romerogroup/pyprocar
Tip revision: f5e478c2041ce64866eb5920b0b4e37250f6ece6 authored by lllangWV on 26 July 2023, 06:34:07 UTC
Completed fermi surface refactor
Completed fermi surface refactor
Tip revision: f5e478c
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<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plotting_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/plotting_fermi3d_spin-polarized.html">Plotting fermi3d spin-polarized</a></li>
<li class="toctree-l2"><a class="reference internal" href="04-fermi3d/plotting_de_hass_van_alphen.html">Showing how to get van alphen fequencies from the fermi surface</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
do!</p>
<div class="sphx-glr-thumbnails"></div><section id="band-structure">
<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="Comparing band structures example."><img alt="Comparing band structures" src="../_images/sphx_glr_plotting_compare_bands_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plotting_compare_bands.html#sphx-glr-examples-00-band-structure-plotting-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 VASP."><img alt="Plotting non colinear band structures in VASP" src="../_images/sphx_glr_plotting_noncolinear_vasp_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plotting_noncolinear_vasp.html#sphx-glr-examples-00-band-structure-plotting-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="Plotting non colinear band structures in Quantum Espresso."><img alt="Plotting non colinear band structures in Quantum Espresso" src="../_images/sphx_glr_plotting_noncolinear_qe_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plotting_noncolinear_qe.html#sphx-glr-examples-00-band-structure-plotting-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="Plotting spin polarized band structures."><img alt="Plotting spin polarized band structures" src="../_images/sphx_glr_plotting_spin_polarized_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plotting_spin_polarized.html#sphx-glr-examples-00-band-structure-plotting-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="Plotting band structure" src="../_images/sphx_glr_plotting_colinear_thumb.png" />
<p><a class="reference internal" href="00-band_structure/plotting_colinear.html#sphx-glr-examples-00-band-structure-plotting-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></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="Plotting non colinear dos in VASP" src="../_images/sphx_glr_plotting_noncolinear_dos_vasp_thumb.png" />
<p><a class="reference internal" href="01-dos/plotting_noncolinear_dos_vasp.html#sphx-glr-examples-01-dos-plotting-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="Plotting non colinear dos in Quantum Espresso" src="../_images/sphx_glr_plotting_noncolinear_dos_qe_thumb.png" />
<p><a class="reference internal" href="01-dos/plotting_noncolinear_dos_qe.html#sphx-glr-examples-01-dos-plotting-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="Plotting density of states" src="../_images/sphx_glr_plotting_colinear_dos_thumb.png" />
<p><a class="reference internal" href="01-dos/plotting_colinear_dos.html#sphx-glr-examples-01-dos-plotting-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="Plotting spin-polarized density of states" src="../_images/sphx_glr_plotting_spin_polarized_dos_thumb.png" />
<p><a class="reference internal" href="01-dos/plotting_spin_polarized_dos.html#sphx-glr-examples-01-dos-plotting-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></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="Plotting bandsdosplot" src="../_images/sphx_glr_plotting_bandsdosplot_thumb.png" />
<p><a class="reference internal" href="02-bands_dos/plotting_bandsdosplot.html#sphx-glr-examples-02-bands-dos-plotting-bandsdosplot-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="Plotting fermi2d noncolinear" src="../_images/sphx_glr_plotting_fermi2d_spin_texture_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plotting_fermi2d_spin_texture.html#sphx-glr-examples-03-fermi2d-plotting-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="Plotting fermi2d" src="../_images/sphx_glr_plotting_fermi2d_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plotting_fermi2d.html#sphx-glr-examples-03-fermi2d-plotting-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="Plotting rashba spin splitting example. From our first paper we had an example to plot the dif..."><img alt="Plotting rashba spin splitting" src="../_images/sphx_glr_plotting_rashba_spin_spliting_thumb.png" />
<p><a class="reference internal" href="03-fermi2d/plotting_rashba_spin_spliting.html#sphx-glr-examples-03-fermi2d-plotting-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="Plotting fermi3d spin_texture" src="../_images/sphx_glr_plotting_fermi3d_spin_texture_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_spin_texture.html#sphx-glr-examples-04-fermi3d-plotting-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="Plotting fermi3d plain" src="../_images/sphx_glr_plotting_fermi3d_plain_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_plain.html#sphx-glr-examples-04-fermi3d-plotting-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="Plotting fermi3d isoslider" src="../_images/sphx_glr_plotting_fermi3d_isoslider_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_isoslider.html#sphx-glr-examples-04-fermi3d-plotting-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="Plotting fermi3d isovalue_gif" src="../_images/sphx_glr_plotting_fermi3d_isovalue_gif_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_isovalue_gif.html#sphx-glr-examples-04-fermi3d-plotting-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="Plotting fermi3d spin-polarized" src="../_images/sphx_glr_plotting_fermi3d_spin-polarized_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_spin-polarized.html#sphx-glr-examples-04-fermi3d-plotting-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="Showing how to get van alphen fequencies from the fermi surface" src="../_images/sphx_glr_plotting_de_hass_van_alphen_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_de_hass_van_alphen.html#sphx-glr-examples-04-fermi3d-plotting-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="Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry"><img alt="Plotting fermi3d cross_section" src="../_images/sphx_glr_plotting_fermi3d_cross_section_thumb.png" />
<p><a class="reference internal" href="04-fermi3d/plotting_fermi3d_cross_section.html#sphx-glr-examples-04-fermi3d-plotting-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="Example of finding the bandgap" src="../_images/sphx_glr_plotting_bandgap_thumb.png" />
<p><a class="reference internal" href="05-other/plotting_bandgap.html#sphx-glr-examples-05-other-plotting-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="Example of kmesh_generator" src="../_images/sphx_glr_plotting_2dkmesh_generation_thumb.png" />
<p><a class="reference internal" href="05-other/plotting_2dkmesh_generation.html#sphx-glr-examples-05-other-plotting-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="Example of kpath_generator" src="../_images/sphx_glr_plotting_kpath_generation_thumb.png" />
<p><a class="reference internal" href="05-other/plotting_kpath_generation.html#sphx-glr-examples-05-other-plotting-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>
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Band Structure
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