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56 | 56 | <ul class="current"> |
57 | 57 | <li class="toctree-l1"><a class="reference internal" href="installation.html">1. Installation</a></li> |
58 | 58 | <li class="toctree-l1 current"><a class="current reference internal" href="#">2. Examples</a><ul> |
59 | | -<li class="toctree-l2"><a class="reference internal" href="#examples-for-required-packages">2.1. 1. Examples for required packages</a></li> |
60 | | -<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> |
| 59 | +<li class="toctree-l2"><a class="reference internal" href="#examples-for-required-packages">2.1. Examples for required packages</a></li> |
| 60 | +<li class="toctree-l2"><a class="reference internal" href="#auto-kappa-example">2.2. auto-kappa example</a></li> |
61 | 61 | </ul> |
62 | 62 | </li> |
63 | 63 | <li class="toctree-l1"><a class="reference internal" href="params_ak.html">3. Parameters for auto-kappa</a></li> |
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93 | 93 | <section id="examples"> |
94 | 94 | <h1><span class="section-number">2. </span>Examples<a class="headerlink" href="#examples" title="Link to this heading"></a></h1> |
95 | 95 | <section id="examples-for-required-packages"> |
96 | | -<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> |
| 96 | +<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> |
97 | 97 | <p>Example jobs are available in the <code class="docutils literal notranslate"><span class="pre">auto-kappa/examples</span></code> directory |
98 | 98 | 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>), |
99 | 99 | 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>). |
100 | 100 | Please go to each directory and run the jobs.</p> |
101 | 101 | </section> |
102 | 102 | <section id="auto-kappa-example"> |
103 | | -<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> |
| 103 | +<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> |
104 | 104 | <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. |
105 | 105 | An example job script is shown below. |
106 | 106 | Since all processes are included in this job, it takes about half an hour to complete. |
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