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<div class="section" id="save-one-e-dm">
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<span id="id1"></span><h1>save_one_e_dm<a class="headerlink" href="#save-one-e-dm" title="Permalink to this headline">¶</a></h1>
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<blockquote>
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<div><p>programs that computes the one body density on the mo basis for alpha and beta electrons
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from the wave function stored in the EZFIO folder, and then save it into the EZFIO folder aux_quantities.</p>
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<p>Then, the global variable data_one_e_dm_alpha_mo and data_one_e_dm_beta_mo will automatically read this density in a further calculation.</p>
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<p>This can be used to perform damping on the density in RS-DFT calculation (see the density_for_dft module).</p>
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<p>Needs:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">read_wf</span></code></li>
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</ul>
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</td><td><ul class="simple">
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</ul>
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</td><td><ul class="simple">
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</ul>
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</td></tr></table>
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<p>Calls:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><code class="xref c c-func docutils literal notranslate"><span class="pre">routine_save_one_e_dm()</span></code></li>
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</ul>
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</td><td><ul class="simple">
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</td><td><ul class="simple">
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</ul>
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</td></tr></table>
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<p>Touches:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">read_wf</span></code></li>
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</ul>
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</td><td><ul class="simple">
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</td></tr></table>
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</div></blockquote>
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