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Tip revision: cb860a383da129745e6181876ab7c4d0c880b68a authored by Logan L on 10 March 2021, 03:15:51 UTC
Added fermi slice plane widget
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kmesh.html
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<div class="section" id="k-mesh-generator">
<span id="labelkmesh"></span><h1>k-mesh generator<a class="headerlink" href="#k-mesh-generator" title="Permalink to this headline">¶</a></h1>
<p>This utility can be used to generate a 2D <span class="math notranslate nohighlight">\(k\)</span>-mesh centered at a given <span class="math notranslate nohighlight">\(k\)</span>-point and in a given <span class="math notranslate nohighlight">\(k\)</span>-plane. This is particularly useful in computing 2D spin-textures and plotting 2D Fermi-surfaces. For example, the following command creates a 2D <span class="math notranslate nohighlight">\(k_{x}\)</span>-<span class="math notranslate nohighlight">\(k_{y}\)</span> -mesh centered at the <span class="math notranslate nohighlight">\(\Gamma\)</span> point (<span class="math notranslate nohighlight">\(k_{z}= 0\)</span>) ranging from coordinates (-0.5, -0.5, 0.0) to (0.5, 0.5, 0.0) with 5 grids in the x direction and 7 grids in the y direction:</p>
<p>General format:</p>
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">pyprocar</span><span class="o">.</span><span class="n">generate2dkmesh</span><span class="p">(</span><span class="n">x1</span><span class="p">,</span><span class="n">y1</span><span class="p">,</span><span class="n">x2</span><span class="p">,</span><span class="n">y2</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="n">num_grids_x</span><span class="p">,</span><span class="n">num_grids_y</span><span class="p">)</span>
</pre></div>
</div>
<p>Usage:</p>
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">pyprocar</span><span class="o">.</span><span class="n">generate2dkmesh</span><span class="p">(</span><span class="o">-</span><span class="mf">0.5</span><span class="p">,</span><span class="o">-</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">7</span><span class="p">)</span>
</pre></div>
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<p>This information is automatically written to a KPOINTS file.</p>
<span class="target" id="module-pyprocar.scriptKmesh2D"></span><dl class="py function">
<dt id="pyprocar.scriptKmesh2D.generate2dkmesh">
<code class="sig-prename descclassname">pyprocar.scriptKmesh2D.</code><code class="sig-name descname">generate2dkmesh</code><span class="sig-paren">(</span><em class="sig-param"><span class="n">x1</span></em>, <em class="sig-param"><span class="n">y1</span></em>, <em class="sig-param"><span class="n">x2</span></em>, <em class="sig-param"><span class="n">y2</span></em>, <em class="sig-param"><span class="n">z</span></em>, <em class="sig-param"><span class="n">nkx</span></em>, <em class="sig-param"><span class="n">nky</span></em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pyprocar/scriptKmesh2D.html#generate2dkmesh"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pyprocar.scriptKmesh2D.generate2dkmesh" title="Permalink to this definition">¶</a></dt>
<dd><p>This module generates a KPOINTS mesh file for 2D plotting.</p>
</dd></dl>
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