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comparebands.html
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<div class="section" id="compare-bands">
<h1>Compare bands<a class="headerlink" href="#compare-bands" title="Permalink to this headline">¶</a></h1>
<p>This module is useful to compare different bands from different materials on the same band plot. The bands are plotted for the same <span class="math notranslate nohighlight">\(k\)</span>-path in order to have a meaningful comparison but they do not need to have the same number of <span class="math notranslate nohighlight">\(k\)</span>-points in each interval. The <code class="docutils literal notranslate"><span class="pre">bandscompare()</span></code> function contains all the parameters that are used in the <code class="docutils literal notranslate"><span class="pre">bandsplot()</span></code> along with an added feature of displaying a <code class="docutils literal notranslate"><span class="pre">legend</span></code> to help differentiate between the two different band structures. Different <code class="docutils literal notranslate"><span class="pre">marker</span></code> styles can be used as well.</p>
<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">bandscompare</span><span class="p">(</span><span class="s1">'PROCAR1'</span><span class="p">,</span><span class="s1">'PROCAR2'</span><span class="p">,</span><span class="n">outcar</span><span class="o">=</span><span class="s1">'OUTCAR1'</span><span class="p">,</span><span class="n">outcar2</span><span class="o">=</span><span class="s1">'OUTCAR2'</span><span class="p">,</span><span class="n">cmap</span><span class="o">=</span><span class="s1">'jet'</span><span class="p">,</span><span class="n">mode</span><span class="o">=</span><span class="s1">'parametric'</span><span class="p">,</span><span class="n">marker</span><span class="o">=</span><span class="s1">'*'</span><span class="p">,</span><span class="n">marker2</span><span class="o">=</span><span class="s1">'-.'</span><span class="p">,</span><span class="n">elimit</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">],</span><span class="n">kpointsfile</span><span class="o">=</span><span class="s1">'KPOINTS'</span><span class="p">,</span><span class="n">legend</span><span class="o">=</span><span class="s1">'PRO1'</span><span class="p">,</span><span class="n">legend2</span><span class="o">=</span><span class="s1">'PRO2'</span><span class="p">,</span><span class="n">spin</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span><span class="n">spin2</span><span class="o">=</span><span class="mi">2</span><span class="p">)</span>
</pre></div>
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<p>A similar approch could be used for other modes of band plots.</p>
<span class="target" id="module-pyprocar.scriptCompareBands"></span><dl class="function">
<dt id="pyprocar.scriptCompareBands.bandscompare">
<code class="sig-prename descclassname">pyprocar.scriptCompareBands.</code><code class="sig-name descname">bandscompare</code><span class="sig-paren">(</span><em class="sig-param">file</em>, <em class="sig-param">file2</em>, <em class="sig-param">mode='plain'</em>, <em class="sig-param">abinit_output=None</em>, <em class="sig-param">abinit_output2=None</em>, <em class="sig-param">spin='0'</em>, <em class="sig-param">spin2='0'</em>, <em class="sig-param">atoms=None</em>, <em class="sig-param">atoms2=None</em>, <em class="sig-param">orbitals=None</em>, <em class="sig-param">orbitals2=None</em>, <em class="sig-param">fermi=None</em>, <em class="sig-param">fermi2=None</em>, <em class="sig-param">elimit=None</em>, <em class="sig-param">mask=None</em>, <em class="sig-param">markersize=0.02</em>, <em class="sig-param">markersize2=0.02</em>, <em class="sig-param">cmap='jet'</em>, <em class="sig-param">vmax=None</em>, <em class="sig-param">vmin=None</em>, <em class="sig-param">vmax2=None</em>, <em class="sig-param">vmin2=None</em>, <em class="sig-param">grid=True</em>, <em class="sig-param">marker='</em>, <em class="sig-param">'</em>, <em class="sig-param">marker2='</em>, <em class="sig-param">'</em>, <em class="sig-param">permissive=False</em>, <em class="sig-param">human=False</em>, <em class="sig-param">savefig=None</em>, <em class="sig-param">kticks=None</em>, <em class="sig-param">knames=None</em>, <em class="sig-param">title=None</em>, <em class="sig-param">outcar=None</em>, <em class="sig-param">outcar2=None</em>, <em class="sig-param">color='r'</em>, <em class="sig-param">color2='g'</em>, <em class="sig-param">legend='PROCAR1'</em>, <em class="sig-param">legend2='PROCAR2'</em>, <em class="sig-param">kpointsfile=None</em><span class="sig-paren">)</span><a class="headerlink" href="#pyprocar.scriptCompareBands.bandscompare" title="Permalink to this definition">¶</a></dt>
<dd><p>This module compares two band structures.</p>
</dd></dl>
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