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2.0
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<li class="toctree-l1 current"><a class="current reference internal" href="#">Printing the near-<abbr title="Full Configuration Interaction">FCI</abbr> wave function</a></li>
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<li><a href="../index.html">Docs</a> »</li>
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<li>Printing the near-<abbr title="Full Configuration Interaction">FCI</abbr> wave function</li>
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<div class="section" id="printing-the-near-fci-wave-function">
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<h1>Printing the near-<abbr title="Full Configuration Interaction">FCI</abbr> wave function<a class="headerlink" href="#printing-the-near-fci-wave-function" title="Permalink to this headline">¶</a></h1>
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<p>Once obtained the near-<abbr title="Full Configuration Interaction">FCI</abbr> energy, one can also take a closer look at
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the wave function stored in the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> database. If the wave function
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contains less than <span class="math notranslate nohighlight">\(10^4\)</span> determinants, you can directly read it
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with the <a class="reference internal" href="qp_edit.html#qp-edit"><span class="std std-ref">qp_edit</span></a> command. Just run</p>
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<div class="code highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_edit</span> <span class="n">file</span><span class="o">.</span><span class="n">ezfio</span>
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</pre></div>
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</div>
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<div class="admonition important">
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<p class="first admonition-title">Important</p>
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<p class="last">The <a class="reference internal" href="qp_edit.html#qp-edit"><span class="std std-ref">qp_edit</span></a> mode virtually makes human-friendly the
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architecture of the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> database through the use of a
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the text editor defined by the <span class="target" id="index-0"></span><code class="xref std std-envvar docutils literal notranslate"><span class="pre">EDITOR</span></code> environment
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variable.</p>
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</div>
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<p>Then, look for the word <em>hand</em> when you are in the <a class="reference internal" href="qp_edit.html#qp-edit"><span class="std std-ref">qp_edit</span></a>
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mode. If the research is negative, then it means that the wave
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function stored in the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> database is too large to be edited
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interactively in <a class="reference internal" href="qp_edit.html#qp-edit"><span class="std std-ref">qp_edit</span></a> mode. An alternative is to use the
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<strong class="command">print_wf</strong> command:</p>
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<div class="code highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_run</span> <span class="n">print_wf</span> <span class="n">file</span><span class="o">.</span><span class="n">ezfio</span> <span class="o">|</span> <span class="n">tee</span> <span class="n">file</span><span class="o">.</span><span class="n">ezfio</span><span class="o">.</span><span class="n">fci_natorb</span><span class="o">.</span><span class="n">wf</span>
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</pre></div>
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</div>
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<p>This program will, by default, print out the first <span class="math notranslate nohighlight">\(10^4\)</span>
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determinants whatever the size of the wave function stored in the
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<a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> folder. If you want to change the number of printed Slater
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determinants, just change the <a class="reference internal" href="../modules/determinants.html#cmdoption-determinants-arg-n-det-print-wf"><code class="xref std std-option docutils literal notranslate"><span class="pre">determinants</span> <span class="pre">n_det_print_wf</span></code></a>
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keyword using the <a class="reference internal" href="qp_edit.html#qp-edit"><span class="std std-ref">qp_edit</span></a> tool.</p>
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<div class="admonition seealso">
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<p class="first admonition-title">See also</p>
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<p class="last">The documentation of the <a class="reference internal" href="../programs/print_wf.html#print-wf"><span class="std std-ref">print_wf</span></a> program.</p>
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