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<section id="module-pymatgen.phonon.plotter">
<span id="pymatgen-phonon-plotter-module"></span><h1>pymatgen.phonon.plotter module<a class="headerlink" href="#module-pymatgen.phonon.plotter" title="Permalink to this heading"></a></h1>
<p>This module implements plotter for DOS and band structure.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.FreqUnits">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">FreqUnits</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">factor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">label</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/phonon/plotter.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.FreqUnits" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">tuple</span></code></p>
<p>Create new instance of FreqUnits(factor, label)</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.FreqUnits.factor">
<span class="sig-name descname"><span class="pre">factor</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/phonon/plotter.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.FreqUnits.factor" title="Permalink to this definition"></a></dt>
<dd><p>Alias for field number 0</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.FreqUnits.label">
<span class="sig-name descname"><span class="pre">label</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/phonon/plotter.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.FreqUnits.label" title="Permalink to this definition"></a></dt>
<dd><p>Alias for field number 1</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">GruneisenPhononBSPlotter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L934-L1087"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.phonon.plotter.PhononBSPlotter" title="pymatgen.phonon.plotter.PhononBSPlotter"><code class="xref py py-class docutils literal notranslate"><span class="pre">PhononBSPlotter</span></code></a></p>
<p>Class to plot or get data to facilitate the plot of band structure objects.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>bs</strong> – A GruneisenPhononBandStructureSymmLine object.</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter.bs_plot_data">
<span class="sig-name descname"><span class="pre">bs_plot_data</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L952-L985"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter.bs_plot_data" title="Permalink to this definition"></a></dt>
<dd><p>Get the data nicely formatted for a plot</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>ticks: A dict with the ‘distances’ at which there is a qpoint (the
x axis) and the labels (None if no label)
frequencies: A list (one element for each branch) of frequencies for
each qpoint: [branch][qpoint][mode]. The data is
stored by branch to facilitate the plotting
gruneisen: GruneisenPhononBandStructureSymmLine
lattice: The reciprocal lattice.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>A dict of the following format</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter.get_plot_gs">
<span class="sig-name descname"><span class="pre">get_plot_gs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L987-L1031"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter.get_plot_gs" title="Permalink to this definition"></a></dt>
<dd><p>Get a matplotlib object for the gruneisen bandstructure plot.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>ylim</strong> – Specify the y-axis (gruneisen) limits; by default None let
the code choose.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter.plot_compare_gs">
<span class="sig-name descname"><span class="pre">plot_compare_gs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">other_plotter</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter" title="pymatgen.phonon.plotter.GruneisenPhononBSPlotter"><span class="pre">GruneisenPhononBSPlotter</span></a></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre"><module</span> <span class="pre">'matplotlib.pyplot'</span> <span class="pre">from</span> <span class="pre">'/Users/janosh/.venv/py311/lib/python3.11/site-packages/matplotlib/pyplot.py'></span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L1056-L1087"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter.plot_compare_gs" title="Permalink to this definition"></a></dt>
<dd><p>plot two band structure for comparison. One is in red the other in blue.
The two band structures need to be defined on the same symmetry lines!
and the distance between symmetry lines is
the one of the band structure used to build the PhononBSPlotter</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>other_plotter</strong> (<a class="reference internal" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter" title="pymatgen.phonon.plotter.GruneisenPhononBSPlotter"><em>GruneisenPhononBSPlotter</em></a>) – another phonon DOS plotter defined along
the same symmetry lines.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>a matplotlib object with both band structures</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter.save_plot_gs">
<span class="sig-name descname"><span class="pre">save_plot_gs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">img_format</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'eps'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L1043-L1054"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter.save_plot_gs" title="Permalink to this definition"></a></dt>
<dd><p>Save matplotlib plot to a file.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>filename</strong> – Filename to write to.</p></li>
<li><p><strong>img_format</strong> – Image format to use. Defaults to EPS.</p></li>
<li><p><strong>ylim</strong> – Specifies the y-axis limits.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPhononBSPlotter.show_gs">
<span class="sig-name descname"><span class="pre">show_gs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L1033-L1041"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPhononBSPlotter.show_gs" title="Permalink to this definition"></a></dt>
<dd><p>Show the plot using matplotlib.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>ylim</strong> – Specifies the y-axis limits.</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPlotter">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">GruneisenPlotter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">gruneisen</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L864-L931"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPlotter" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Class to plot Gruneisenparameter Object</p>
<p>Class to plot information from Gruneisenparameter Object
:param gruneisen: GruneisenParameter Object</p>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPlotter.get_plot">
<span class="sig-name descname"><span class="pre">get_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">marker</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'o'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">markersize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L877-L908"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPlotter.get_plot" title="Permalink to this definition"></a></dt>
<dd><p>will produce a plot
:param marker: marker for the depiction
:param markersize: size of the marker
:param units: unit for the plots, accepted units: thz, ev, mev, ha, cm-1, cm^-1</p>
<p>Returns: plot</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPlotter.save_plot">
<span class="sig-name descname"><span class="pre">save_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">img_format</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'pdf'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L921-L931"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPlotter.save_plot" title="Permalink to this definition"></a></dt>
<dd><p>Will save the plot to a file
:param filename: name of the filename
:param img_format: format of the saved plot
:param units: accepted units: thz, ev, mev, ha, cm-1, cm^-1</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.GruneisenPlotter.show">
<span class="sig-name descname"><span class="pre">show</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L910-L919"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.GruneisenPlotter.show" title="Permalink to this definition"></a></dt>
<dd><p>will show the plot
:param units: units for the plot, accepted units: thz, ev, mev, ha, cm-1, cm^-1</p>
<p>Returns: plot</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">PhononBSPlotter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L235-L656"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Class to plot or get data to facilitate the plot of band structure objects.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>bs</strong> – A PhononBandStructureSymmLine object.</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.bs_plot_data">
<span class="sig-name descname"><span class="pre">bs_plot_data</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L293-L323"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.bs_plot_data" title="Permalink to this definition"></a></dt>
<dd><p>Get the data nicely formatted for a plot</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>ticks: A dict with the ‘distances’ at which there is a qpoint (the
x axis) and the labels (None if no label)
frequencies: A list (one element for each branch) of frequencies for
each qpoint: [branch][qpoint][mode]. The data is
stored by branch to facilitate the plotting
lattice: The reciprocal lattice.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>A dict of the following format</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.get_plot">
<span class="sig-name descname"><span class="pre">get_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L325-L370"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.get_plot" title="Permalink to this definition"></a></dt>
<dd><p>Get a matplotlib object for the bandstructure plot.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>ylim</strong> – Specify the y-axis (frequency) limits; by default None let
the code choose.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.get_proj_plot">
<span class="sig-name descname"><span class="pre">get_proj_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site_comb</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'element'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">None</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">float</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">None</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">float</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'thz'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rgb_labels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">None</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Axes</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L413-L510"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.get_proj_plot" title="Permalink to this definition"></a></dt>
<dd><p>Get a matplotlib object for the bandstructure plot projected along atomic
sites.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site_comb</strong> – a list of list, for example, [[0],[1],[2,3,4]];
the numbers in each sublist represents the indices of atoms;
the atoms in a same sublist will be plotted in a same color;
if not specified, unique elements are automatically grouped.</p></li>
<li><p><strong>ylim</strong> – Specify the y-axis (frequency) limits; by default None let
the code choose.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.
Defaults to “thz”.</p></li>
<li><p><strong>rgb_labels</strong> – a list of rgb colors for the labels; if not specified,
the colors will be automatically generated.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.get_ticks">
<span class="sig-name descname"><span class="pre">get_ticks</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L563-L599"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.get_ticks" title="Permalink to this definition"></a></dt>
<dd><p>Get all ticks and labels for a band structure plot.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>a list of distance at which ticks should
be set and ‘label’: a list of label for each of those ticks.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>A dict with ‘distance’</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.plot_brillouin">
<span class="sig-name descname"><span class="pre">plot_brillouin</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L637-L656"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.plot_brillouin" title="Permalink to this definition"></a></dt>
<dd><p>plot the Brillouin zone</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.plot_compare">
<span class="sig-name descname"><span class="pre">plot_compare</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">other_plotter</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L601-L635"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.plot_compare" title="Permalink to this definition"></a></dt>
<dd><p>plot two band structure for comparison. One is in red the other in blue.
The two band structures need to be defined on the same symmetry lines!
and the distance between symmetry lines is the one of the band structure
used to build the PhononBSPlotter</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>other_plotter</strong> – another PhononBSPlotter object defined along the same symmetry lines</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.
Defaults to ‘thz’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>a matplotlib object with both band structures</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.save_plot">
<span class="sig-name descname"><span class="pre">save_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">img_format</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'eps'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L524-L536"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.save_plot" title="Permalink to this definition"></a></dt>
<dd><p>Save matplotlib plot to a file.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>filename</strong> – Filename to write to.</p></li>
<li><p><strong>img_format</strong> – Image format to use. Defaults to EPS.</p></li>
<li><p><strong>ylim</strong> – Specifies the y-axis limits.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.show">
<span class="sig-name descname"><span class="pre">show</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L512-L522"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.show" title="Permalink to this definition"></a></dt>
<dd><p>Show the plot using matplotlib.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>ylim</strong> – Specify the y-axis (frequency) limits; by default None let
the code choose.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononBSPlotter.show_proj">
<span class="sig-name descname"><span class="pre">show_proj</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site_comb</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'element'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">None</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">float</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">None</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">float</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'thz'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rgb_labels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L538-L561"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononBSPlotter.show_proj" title="Permalink to this definition"></a></dt>
<dd><p>Show the projected plot using matplotlib.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site_comb</strong> – A list of list of indices of sites to combine. For example,
[[0, 1], [2, 3]] will combine the projections of sites 0 and 1,
and sites 2 and 3. Defaults to “element”, which will combine
sites by element.</p></li>
<li><p><strong>ylim</strong> – Specify the y-axis (frequency) limits; by default None let
the code choose.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.
Defaults to “thz”.</p></li>
<li><p><strong>rgb_labels</strong> – A list of labels for the rgb triangle. Defaults to None,
which will use the element symbols.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">PhononDosPlotter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">stack</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sigma</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L58-L232"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Class for plotting phonon DOSs. Note that the interface is extremely flexible
given that there are many different ways in which people want to view
DOS. The typical usage is:</p>
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="c1"># Initializes plotter with some optional args. Defaults are usually</span>
<span class="c1"># fine,</span>
<span class="n">plotter</span> <span class="o">=</span> <span class="n">PhononDosPlotter</span><span class="p">()</span>
<span class="c1"># Adds a DOS with a label.</span>
<span class="n">plotter</span><span class="o">.</span><span class="n">add_dos</span><span class="p">(</span><span class="s2">"Total DOS"</span><span class="p">,</span> <span class="n">dos</span><span class="p">)</span>
<span class="c1"># Alternatively, you can add a dict of DOSs. This is the typical</span>
<span class="c1"># form returned by CompletePhononDos.get_element_dos().</span>
</pre></div>
</div>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>stack</strong> – Whether to plot the DOS as a stacked area graph</p></li>
<li><p><strong>sigma</strong> – A float specifying a standard deviation for Gaussian smearing</p></li>
<li><p><strong>no</strong> (<em>the DOS for nicer looking plots. Defaults to None for</em>) – </p></li>
<li><p><strong>smearing.</strong> – </p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.add_dos">
<span class="sig-name descname"><span class="pre">add_dos</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">label</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dos</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L88-L99"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.add_dos" title="Permalink to this definition"></a></dt>
<dd><p>Adds a dos for plotting.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>label</strong> – label for the DOS. Must be unique.</p></li>
<li><p><strong>dos</strong> – PhononDos object</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.add_dos_dict">
<span class="sig-name descname"><span class="pre">add_dos_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dos_dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">key_sort_func</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L101-L112"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.add_dos_dict" title="Permalink to this definition"></a></dt>
<dd><p>Add a dictionary of doses, with an optional sorting function for the
keys.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>dos_dict</strong> – dict of {label: Dos}</p></li>
<li><p><strong>key_sort_func</strong> – function used to sort the dos_dict keys.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.get_dos_dict">
<span class="sig-name descname"><span class="pre">get_dos_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L114-L124"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.get_dos_dict" title="Permalink to this definition"></a></dt>
<dd><p>Returns the added doses as a json-serializable dict. Note that if you
have specified smearing for the DOS plot, the densities returned will
be the smeared densities, not the original densities.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>{‘frequencies’:..,
‘densities’: …}}</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>Dict of dos data. Generally of the form, {label</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.get_plot">
<span class="sig-name descname"><span class="pre">get_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">xlim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L126-L203"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.get_plot" title="Permalink to this definition"></a></dt>
<dd><p>Get a matplotlib plot showing the DOS.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>xlim</strong> – Specifies the x-axis limits. Set to None for automatic
determination.</p></li>
<li><p><strong>ylim</strong> – Specifies the y-axis limits.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.save_plot">
<span class="sig-name descname"><span class="pre">save_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">img_format</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'eps'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">xlim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L205-L219"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.save_plot" title="Permalink to this definition"></a></dt>
<dd><p>Save matplotlib plot to a file.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>filename</strong> – Filename to write to.</p></li>
<li><p><strong>img_format</strong> – Image format to use. Defaults to EPS.</p></li>
<li><p><strong>xlim</strong> – Specifies the x-axis limits. Set to None for automatic
determination.</p></li>
<li><p><strong>ylim</strong> – Specifies the y-axis limits.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.PhononDosPlotter.show">
<span class="sig-name descname"><span class="pre">show</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">xlim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">units</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'thz'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L221-L232"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.PhononDosPlotter.show" title="Permalink to this definition"></a></dt>
<dd><p>Show the plot using matplotlib.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>xlim</strong> – Specifies the x-axis limits. Set to None for automatic
determination.</p></li>
<li><p><strong>ylim</strong> – Specifies the y-axis limits.</p></li>
<li><p><strong>units</strong> – units for the frequencies. Accepted values thz, ev, mev, ha, cm-1, cm^-1.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ThermoPlotter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dos</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L659-L861"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Plotter for thermodynamic properties obtained from phonon DOS.
If the structure corresponding to the DOS, it will be used to extract the formula unit and provide
the plots in units of mol instead of mole-cell</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>dos</strong> – A PhononDos object.</p></li>
<li><p><strong>structure</strong> – A Structure object corresponding to the structure used for the calculation.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter.plot_cv">
<span class="sig-name descname"><span class="pre">plot_cv</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tmin</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmax</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ntemp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L716-L737"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter.plot_cv" title="Permalink to this definition"></a></dt>
<dd><p>Plots the constant volume specific heat C_v in a temperature range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>tmin</strong> – minimum temperature</p></li>
<li><p><strong>tmax</strong> – maximum temperature</p></li>
<li><p><strong>ntemp</strong> – number of steps</p></li>
<li><p><strong>ylim</strong> – tuple specifying the y-axis limits.</p></li>
<li><p><strong>kwargs</strong> – kwargs passed to the matplotlib function ‘plot’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure</p>
</dd>
</dl>
<p>Keyword arguments controlling the display of the figure:</p>
<table class="docutils align-default">
<thead>
<tr class="row-odd"><th class="head"><p>kwargs</p></th>
<th class="head"><p>Meaning</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p>title</p></td>
<td><p>Title of the plot (Default: None).</p></td>
</tr>
<tr class="row-odd"><td><p>show</p></td>
<td><p>True to show the figure (default: True).</p></td>
</tr>
<tr class="row-even"><td><p>savefig</p></td>
<td><p>“abc.png” or “abc.eps” to save the figure to a file.</p></td>
</tr>
<tr class="row-odd"><td><p>size_kwargs</p></td>
<td><p>Dictionary with options passed to fig.set_size_inches
e.g. size_kwargs=dict(w=3, h=4)</p></td>
</tr>
<tr class="row-even"><td><p>tight_layout</p></td>
<td><p>True to call fig.tight_layout (default: False)</p></td>
</tr>
<tr class="row-odd"><td><p>ax_grid</p></td>
<td><p>True (False) to add (remove) grid from all axes in fig.
Default: None i.e. fig is left unchanged.</p></td>
</tr>
<tr class="row-even"><td><p>ax_annotate</p></td>
<td><p>Add labels to subplots e.g. (a), (b).
Default: False</p></td>
</tr>
<tr class="row-odd"><td><p>fig_close</p></td>
<td><p>Close figure. Default: False.</p></td>
</tr>
</tbody>
</table>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter.plot_entropy">
<span class="sig-name descname"><span class="pre">plot_entropy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tmin</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmax</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ntemp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L739-L760"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter.plot_entropy" title="Permalink to this definition"></a></dt>
<dd><p>Plots the vibrational entrpy in a temperature range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>tmin</strong> – minimum temperature</p></li>
<li><p><strong>tmax</strong> – maximum temperature</p></li>
<li><p><strong>ntemp</strong> – number of steps</p></li>
<li><p><strong>ylim</strong> – tuple specifying the y-axis limits.</p></li>
<li><p><strong>kwargs</strong> – kwargs passed to the matplotlib function ‘plot’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure</p>
</dd>
</dl>
<p>Keyword arguments controlling the display of the figure:</p>
<table class="docutils align-default">
<thead>
<tr class="row-odd"><th class="head"><p>kwargs</p></th>
<th class="head"><p>Meaning</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p>title</p></td>
<td><p>Title of the plot (Default: None).</p></td>
</tr>
<tr class="row-odd"><td><p>show</p></td>
<td><p>True to show the figure (default: True).</p></td>
</tr>
<tr class="row-even"><td><p>savefig</p></td>
<td><p>“abc.png” or “abc.eps” to save the figure to a file.</p></td>
</tr>
<tr class="row-odd"><td><p>size_kwargs</p></td>
<td><p>Dictionary with options passed to fig.set_size_inches
e.g. size_kwargs=dict(w=3, h=4)</p></td>
</tr>
<tr class="row-even"><td><p>tight_layout</p></td>
<td><p>True to call fig.tight_layout (default: False)</p></td>
</tr>
<tr class="row-odd"><td><p>ax_grid</p></td>
<td><p>True (False) to add (remove) grid from all axes in fig.
Default: None i.e. fig is left unchanged.</p></td>
</tr>
<tr class="row-even"><td><p>ax_annotate</p></td>
<td><p>Add labels to subplots e.g. (a), (b).
Default: False</p></td>
</tr>
<tr class="row-odd"><td><p>fig_close</p></td>
<td><p>Close figure. Default: False.</p></td>
</tr>
</tbody>
</table>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter.plot_helmholtz_free_energy">
<span class="sig-name descname"><span class="pre">plot_helmholtz_free_energy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tmin</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmax</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ntemp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L785-L808"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter.plot_helmholtz_free_energy" title="Permalink to this definition"></a></dt>
<dd><p>Plots the vibrational contribution to the Helmoltz free energy in a temperature range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>tmin</strong> – minimum temperature</p></li>
<li><p><strong>tmax</strong> – maximum temperature</p></li>
<li><p><strong>ntemp</strong> – number of steps</p></li>
<li><p><strong>ylim</strong> – tuple specifying the y-axis limits.</p></li>
<li><p><strong>kwargs</strong> – kwargs passed to the matplotlib function ‘plot’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure</p>
</dd>
</dl>
<p>Keyword arguments controlling the display of the figure:</p>
<table class="docutils align-default">
<thead>
<tr class="row-odd"><th class="head"><p>kwargs</p></th>
<th class="head"><p>Meaning</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p>title</p></td>
<td><p>Title of the plot (Default: None).</p></td>
</tr>
<tr class="row-odd"><td><p>show</p></td>
<td><p>True to show the figure (default: True).</p></td>
</tr>
<tr class="row-even"><td><p>savefig</p></td>
<td><p>“abc.png” or “abc.eps” to save the figure to a file.</p></td>
</tr>
<tr class="row-odd"><td><p>size_kwargs</p></td>
<td><p>Dictionary with options passed to fig.set_size_inches
e.g. size_kwargs=dict(w=3, h=4)</p></td>
</tr>
<tr class="row-even"><td><p>tight_layout</p></td>
<td><p>True to call fig.tight_layout (default: False)</p></td>
</tr>
<tr class="row-odd"><td><p>ax_grid</p></td>
<td><p>True (False) to add (remove) grid from all axes in fig.
Default: None i.e. fig is left unchanged.</p></td>
</tr>
<tr class="row-even"><td><p>ax_annotate</p></td>
<td><p>Add labels to subplots e.g. (a), (b).
Default: False</p></td>
</tr>
<tr class="row-odd"><td><p>fig_close</p></td>
<td><p>Close figure. Default: False.</p></td>
</tr>
</tbody>
</table>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter.plot_internal_energy">
<span class="sig-name descname"><span class="pre">plot_internal_energy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tmin</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmax</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ntemp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L762-L783"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter.plot_internal_energy" title="Permalink to this definition"></a></dt>
<dd><p>Plots the vibrational internal energy in a temperature range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>tmin</strong> – minimum temperature</p></li>
<li><p><strong>tmax</strong> – maximum temperature</p></li>
<li><p><strong>ntemp</strong> – number of steps</p></li>
<li><p><strong>ylim</strong> – tuple specifying the y-axis limits.</p></li>
<li><p><strong>kwargs</strong> – kwargs passed to the matplotlib function ‘plot’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure</p>
</dd>
</dl>
<p>Keyword arguments controlling the display of the figure:</p>
<table class="docutils align-default">
<thead>
<tr class="row-odd"><th class="head"><p>kwargs</p></th>
<th class="head"><p>Meaning</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p>title</p></td>
<td><p>Title of the plot (Default: None).</p></td>
</tr>
<tr class="row-odd"><td><p>show</p></td>
<td><p>True to show the figure (default: True).</p></td>
</tr>
<tr class="row-even"><td><p>savefig</p></td>
<td><p>“abc.png” or “abc.eps” to save the figure to a file.</p></td>
</tr>
<tr class="row-odd"><td><p>size_kwargs</p></td>
<td><p>Dictionary with options passed to fig.set_size_inches
e.g. size_kwargs=dict(w=3, h=4)</p></td>
</tr>
<tr class="row-even"><td><p>tight_layout</p></td>
<td><p>True to call fig.tight_layout (default: False)</p></td>
</tr>
<tr class="row-odd"><td><p>ax_grid</p></td>
<td><p>True (False) to add (remove) grid from all axes in fig.
Default: None i.e. fig is left unchanged.</p></td>
</tr>
<tr class="row-even"><td><p>ax_annotate</p></td>
<td><p>Add labels to subplots e.g. (a), (b).
Default: False</p></td>
</tr>
<tr class="row-odd"><td><p>fig_close</p></td>
<td><p>Close figure. Default: False.</p></td>
</tr>
</tbody>
</table>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.ThermoPlotter.plot_thermodynamic_properties">
<span class="sig-name descname"><span class="pre">plot_thermodynamic_properties</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tmin</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmax</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ntemp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ylim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L810-L861"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.ThermoPlotter.plot_thermodynamic_properties" title="Permalink to this definition"></a></dt>
<dd><p>Plots all the thermodynamic properties in a temperature range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>tmin</strong> – minimum temperature</p></li>
<li><p><strong>tmax</strong> – maximum temperature</p></li>
<li><p><strong>ntemp</strong> – number of steps</p></li>
<li><p><strong>ylim</strong> – tuple specifying the y-axis limits.</p></li>
<li><p><strong>kwargs</strong> – kwargs passed to the matplotlib function ‘plot’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure</p>
</dd>
</dl>
<p>Keyword arguments controlling the display of the figure:</p>
<table class="docutils align-default">
<thead>
<tr class="row-odd"><th class="head"><p>kwargs</p></th>
<th class="head"><p>Meaning</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p>title</p></td>
<td><p>Title of the plot (Default: None).</p></td>
</tr>
<tr class="row-odd"><td><p>show</p></td>
<td><p>True to show the figure (default: True).</p></td>
</tr>
<tr class="row-even"><td><p>savefig</p></td>
<td><p>“abc.png” or “abc.eps” to save the figure to a file.</p></td>
</tr>
<tr class="row-odd"><td><p>size_kwargs</p></td>
<td><p>Dictionary with options passed to fig.set_size_inches
e.g. size_kwargs=dict(w=3, h=4)</p></td>
</tr>
<tr class="row-even"><td><p>tight_layout</p></td>
<td><p>True to call fig.tight_layout (default: False)</p></td>
</tr>
<tr class="row-odd"><td><p>ax_grid</p></td>
<td><p>True (False) to add (remove) grid from all axes in fig.
Default: None i.e. fig is left unchanged.</p></td>
</tr>
<tr class="row-even"><td><p>ax_annotate</p></td>
<td><p>Add labels to subplots e.g. (a), (b).
Default: False</p></td>
</tr>
<tr class="row-odd"><td><p>fig_close</p></td>
<td><p>Close figure. Default: False.</p></td>
</tr>
</tbody>
</table>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.phonon.plotter.freq_units">
<span class="sig-name descname"><span class="pre">freq_units</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">units</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../phonon/plotter.py#L25-L55"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.phonon.plotter.freq_units" title="Permalink to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>units</strong> – str, accepted values: thz, ev, mev, ha, cm-1, cm^-1</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Returns conversion factor from THz to the required units and the label in the form of a namedtuple</p>
</dd>
</dl>
</dd></dl>
</section>
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