https://github.com/romerogroup/pyprocar
Tip revision: cb860a383da129745e6181876ab7c4d0c880b68a authored by Logan L on 10 March 2021, 03:15:51 UTC
Added fermi slice plane widget
Added fermi slice plane widget
Tip revision: cb860a3
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<li class="toctree-l2"><a class="reference internal" href="bandsdos.html">Bands Structure with Density of States</a></li>
<li class="toctree-l2"><a class="reference internal" href="2Dspin.html">2D spin-texture</a></li>
<li class="toctree-l2"><a class="reference internal" href="fermi3D.html">3D Fermi surface</a></li>
<li class="toctree-l2"><a class="reference internal" href="filter.html">Filtering data</a></li>
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<h1>Tutorials<a class="headerlink" href="#tutorials" title="Permalink to this headline">ΒΆ</a></h1>
<p>The following set of tutorials explains the basic usage of PyProcar. Files required to run these calculations are available in the /examples directory in the github repo.</p>
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<li class="toctree-l1"><a class="reference internal" href="kpath.html">Generating a k-path</a></li>
<li class="toctree-l1"><a class="reference internal" href="repair.html">Repair</a></li>
<li class="toctree-l1"><a class="reference internal" href="kmesh.html">k-mesh generator</a></li>
<li class="toctree-l1"><a class="reference internal" href="bands.html">Band structure</a><ul>
<li class="toctree-l2"><a class="reference internal" href="bands.html#plain-band-structure">1. Plain band structure</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#spin-projection">2. Spin projection</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#atom-projection">3. Atom projection</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#orbital-projection">4. Orbital projection</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#export-plot-as-a-matplotlib-pyplot-object">Export plot as a matplotlib.pyplot object</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#converting-k-points-from-reduced-to-cartesian-coordinates">Converting <span class="math notranslate nohighlight">\(k\)</span>-points from reduced to cartesian coordinates</a></li>
<li class="toctree-l2"><a class="reference internal" href="bands.html#plotting-band-structures-with-a-discontinuous-k-path">Plotting band structures with a discontinuous <span class="math notranslate nohighlight">\(k\)</span>-path</a></li>
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<li class="toctree-l1"><a class="reference internal" href="dos.html">Density of States</a><ul>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-plain">1. <code class="docutils literal notranslate"><span class="pre">mode='plain'</span></code></a></li>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-parametric">2. <code class="docutils literal notranslate"><span class="pre">mode='parametric'</span></code></a></li>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-parametric-line">3. <code class="docutils literal notranslate"><span class="pre">mode='parametric_line'</span></code></a></li>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-stack">4. <code class="docutils literal notranslate"><span class="pre">mode='stack'</span></code></a></li>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-stack-species">5. <code class="docutils literal notranslate"><span class="pre">mode='stack_species'</span></code></a></li>
<li class="toctree-l2"><a class="reference internal" href="dos.html#mode-stack-orbitals">6. <code class="docutils literal notranslate"><span class="pre">mode='stack_orbitals'</span></code></a></li>
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<li class="toctree-l1"><a class="reference internal" href="bandsdos.html">Bands Structure with Density of States</a><ul>
<li class="toctree-l2"><a class="reference internal" href="bandsdos.html#parameters">Parameters</a></li>
<li class="toctree-l2"><a class="reference internal" href="bandsdos.html#modes-and-examples">Modes and examples</a><ul>
<li class="toctree-l3"><a class="reference internal" href="bandsdos.html#dos-mode-plain-bands-mode-plain">1. <code class="docutils literal notranslate"><span class="pre">dos_mode='plain'</span></code>, <code class="docutils literal notranslate"><span class="pre">bands_mode='plain'</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="bandsdos.html#dos-mode-parametric-bands-mode-parametric">2. <code class="docutils literal notranslate"><span class="pre">dos_mode='parametric'</span></code>, <code class="docutils literal notranslate"><span class="pre">bands_mode='parametric'</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="bandsdos.html#dos-mode-stack-bands-mode-plain">3. <code class="docutils literal notranslate"><span class="pre">dos_mode='stack'</span></code>, <code class="docutils literal notranslate"><span class="pre">bands_mode='plain'</span></code></a></li>
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<li class="toctree-l1"><a class="reference internal" href="2Dspin.html">2D spin-texture</a><ul>
<li class="toctree-l2"><a class="reference internal" href="2Dspin.html#translate-and-rotate-the-2d-kpoint-mesh">Translate and Rotate the 2D KPOINT mesh</a></li>
<li class="toctree-l2"><a class="reference internal" href="2Dspin.html#export-plot-as-a-matplotlib-pyplot-object">Export plot as a matplotlib.pyplot object</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fermi3D.html">3D Fermi surface</a><ul>
<li class="toctree-l2"><a class="reference internal" href="fermi3D.html#d-surfaces">3D surfaces</a></li>
<li class="toctree-l2"><a class="reference internal" href="fermi3D.html#id3">Examples</a><ul>
<li class="toctree-l3"><a class="reference internal" href="fermi3D.html#plain-fermi-surface">1. Plain Fermi surface</a></li>
<li class="toctree-l3"><a class="reference internal" href="fermi3D.html#surface-coloring-based-on-properties-from-procar">2. Surface coloring based on properties from PROCAR</a></li>
<li class="toctree-l3"><a class="reference internal" href="fermi3D.html#surface-coloring-based-on-properties-obtained-from-an-external-file">3. Surface coloring based on properties obtained from an external file</a></li>
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<li class="toctree-l1"><a class="reference internal" href="filter.html">Filtering data</a><ul>
<li class="toctree-l2"><a class="reference internal" href="filter.html#to-filter-selected-orbitals">To filter selected orbitals</a></li>
<li class="toctree-l2"><a class="reference internal" href="filter.html#to-filter-selected-k-points">To filter selected <span class="math notranslate nohighlight">\(k\)</span>-points</a></li>
<li class="toctree-l2"><a class="reference internal" href="filter.html#to-filter-selected-spins">To filter selected spins</a></li>
<li class="toctree-l2"><a class="reference internal" href="filter.html#to-filter-selected-atoms">To filter selected atoms</a></li>
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<li class="toctree-l1"><a class="reference internal" href="comparebands.html">Compare bands</a></li>
<li class="toctree-l1"><a class="reference internal" href="cat.html">Concatenating multiple calculations</a></li>
<li class="toctree-l1"><a class="reference internal" href="unfold.html">Band unfolding</a><ul>
<li class="toctree-l2"><a class="reference internal" href="unfold.html#export-plot-as-a-matplotlib-pyplot-object">Export plot as a matplotlib.pyplot object</a></li>
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<li class="toctree-l1"><a class="reference internal" href="bandgap.html">Band gap calculation</a></li>
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