https://github.com/romerogroup/pyprocar
Tip revision: 892697b4c15da5cbbd09fb13726f82d246ae2b6f authored by Uthpala Herath on 14 April 2020, 20:41:07 UTC
Added feature to filter spin up and spin down bands in colinear spin calculations
Added feature to filter spin up and spin down bands in colinear spin calculations
Tip revision: 892697b
tutorials.html
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<li class="toctree-l2"><a class="reference internal" href="3Dspin.html">3D Fermi surface</a></li>
<li class="toctree-l2"><a class="reference internal" href="filter.html">Filtering data</a></li>
<li class="toctree-l2"><a class="reference internal" href="comparebands.html">Compare bands</a></li>
<li class="toctree-l2"><a class="reference internal" href="cat.html">Concatenating multiple calculations</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-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="3Dspin.html">3D Fermi surface</a><ul>
<li class="toctree-l2"><a class="reference internal" href="3Dspin.html#plain-fermi-surface">1. Plain Fermi surface</a></li>
<li class="toctree-l2"><a class="reference internal" href="3Dspin.html#surface-coloring-based-on-properties-from-procar">2. Surface coloring based on properties from PROCAR</a></li>
<li class="toctree-l2"><a class="reference internal" href="3Dspin.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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