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_sources/usage.rst.txt

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Examples
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=========
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1. Examples for required packages
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----------------------------------
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Examples for required packages
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-------------------------------
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Example jobs are available in the ``auto-kappa/examples`` directory
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for ``alm`` (``examples/1_alm``), ``anphon`` (``examples/2_anphon``),
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ASE (``examples/3_ase``), and Custodian (``examples/4_custodian``).
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Please go to each directory and run the jobs.
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2. ``auto-kappa`` example
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---------------------------
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auto-kappa example
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--------------------
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The ``.../examples/5_single`` directory contains an example to compute thermal conductivity of Silicon using auto-kappa.
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An example job script is shown below.

index.html

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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="usage.html">2. Examples</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="usage.html#examples-for-required-packages">2.1. 1. Examples for required packages</a></li>
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<li class="toctree-l2"><a class="reference internal" href="usage.html#auto-kappa-example">2.2. 2. <code class="docutils literal notranslate"><span class="pre">auto-kappa</span></code> example</a></li>
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<li class="toctree-l2"><a class="reference internal" href="usage.html#examples-for-required-packages">2.1. Examples for required packages</a></li>
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<li class="toctree-l2"><a class="reference internal" href="usage.html#auto-kappa-example">2.2. auto-kappa example</a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="params_ak.html">3. Parameters for auto-kappa</a><ul>

searchindex.js

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usage.html

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<ul class="current">
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<li class="toctree-l1"><a class="reference internal" href="installation.html">1. Installation</a></li>
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<li class="toctree-l1 current"><a class="current reference internal" href="#">2. Examples</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="#examples-for-required-packages">2.1. 1. Examples for required packages</a></li>
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<li class="toctree-l2"><a class="reference internal" href="#auto-kappa-example">2.2. 2. <code class="docutils literal notranslate"><span class="pre">auto-kappa</span></code> example</a></li>
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<li class="toctree-l2"><a class="reference internal" href="#examples-for-required-packages">2.1. Examples for required packages</a></li>
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<li class="toctree-l2"><a class="reference internal" href="#auto-kappa-example">2.2. auto-kappa example</a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="params_ak.html">3. Parameters for auto-kappa</a></li>
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<section id="examples">
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<h1><span class="section-number">2. </span>Examples<a class="headerlink" href="#examples" title="Link to this heading"></a></h1>
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<section id="examples-for-required-packages">
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<h2><span class="section-number">2.1. </span>1. Examples for required packages<a class="headerlink" href="#examples-for-required-packages" title="Link to this heading"></a></h2>
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<h2><span class="section-number">2.1. </span>Examples for required packages<a class="headerlink" href="#examples-for-required-packages" title="Link to this heading"></a></h2>
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<p>Example jobs are available in the <code class="docutils literal notranslate"><span class="pre">auto-kappa/examples</span></code> directory
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for <code class="docutils literal notranslate"><span class="pre">alm</span></code> (<code class="docutils literal notranslate"><span class="pre">examples/1_alm</span></code>), <code class="docutils literal notranslate"><span class="pre">anphon</span></code> (<code class="docutils literal notranslate"><span class="pre">examples/2_anphon</span></code>),
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ASE (<code class="docutils literal notranslate"><span class="pre">examples/3_ase</span></code>), and Custodian (<code class="docutils literal notranslate"><span class="pre">examples/4_custodian</span></code>).
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Please go to each directory and run the jobs.</p>
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</section>
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<section id="auto-kappa-example">
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<h2><span class="section-number">2.2. </span>2. <code class="docutils literal notranslate"><span class="pre">auto-kappa</span></code> example<a class="headerlink" href="#auto-kappa-example" title="Link to this heading"></a></h2>
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<h2><span class="section-number">2.2. </span>auto-kappa example<a class="headerlink" href="#auto-kappa-example" title="Link to this heading"></a></h2>
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<p>The <code class="docutils literal notranslate"><span class="pre">.../examples/5_single</span></code> directory contains an example to compute thermal conductivity of Silicon using auto-kappa.
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An example job script is shown below.
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Since all processes are included in this job, it takes about half an hour to complete.

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