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<section id="module-pymatgen.analysis.piezo_sensitivity">
<span id="pymatgen-analysis-piezo-sensitivity-module"></span><h1>pymatgen.analysis.piezo_sensitivity module<a class="headerlink" href="#module-pymatgen.analysis.piezo_sensitivity" title="Permalink to this heading"></a></h1>
<p>Piezo sensitivity analysis module.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">BornEffectiveCharge</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">bec</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pointops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</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">0.001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L35-L170"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge" 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>This class describes the Nx3x3 born effective charge tensor</p>
<p>Create an BornEffectiveChargeTensor object defined by a
structure, point operations of the structure’s atomic sites.
Note that the constructor uses __new__ rather than __init__
according to the standard method of subclassing numpy ndarrays.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>input_matrix</strong> (<em>Nx3x3 array-like</em>) – the Nx3x3 array-like
representing the born effective charge tensor</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge.get_BEC_operations">
<span class="sig-name descname"><span class="pre">get_BEC_operations</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">eigtol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">opstol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L58-L117"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge.get_BEC_operations" title="Permalink to this definition"></a></dt>
<dd><p>Returns the symmetry operations which maps the tensors
belonging to equivalent sites onto each other in the form
[site index 1, site index 2, [Symmops mapping from site
index 1 to site index 2]]</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>eigtol</strong> (<em>float</em>) – tolerance for determining if two sites are</p></li>
<li><p><strong>symmetry</strong> (<em>related by</em>) – </p></li>
<li><p><strong>opstol</strong> (<em>float</em>) – tolerance for determining if a symmetry</p></li>
<li><p><strong>sites</strong> (<em>operation relates two</em>) – </p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>list of symmetry operations mapping equivalent sites and
the indexes of those sites.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge.get_rand_BEC">
<span class="sig-name descname"><span class="pre">get_rand_BEC</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">max_charge</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L119-L170"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.BornEffectiveCharge.get_rand_BEC" title="Permalink to this definition"></a></dt>
<dd><p>Generate a random born effective charge tensor which obeys a structure’s
symmetry and the acoustic sum rule</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>max_charge</strong> (<em>float</em>) – maximum born effective charge value</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>np.array Born effective charge tensor</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ForceConstantMatrix</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">fcm</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pointops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sharedops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</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">0.001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L268-L667"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix" 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>This class describes the NxNx3x3 force constant matrix defined by a
structure, point operations of the structure’s atomic sites, and the
shared symmetry operations between pairs of atomic sites.</p>
<p>Create an ForceConstantMatrix object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>input_matrix</strong> (<em>NxNx3x3 array-like</em>) – the NxNx3x3 array-like
representing the force constant matrix</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_FCM_operations">
<span class="sig-name descname"><span class="pre">get_FCM_operations</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">eigtol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">opstol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L289-L364"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_FCM_operations" title="Permalink to this definition"></a></dt>
<dd><p>Returns the symmetry operations which maps the tensors
belonging to equivalent sites onto each other in the form
[site index 1a, site index 1b, site index 2a, site index 2b,
[Symmops mapping from site index 1a, 1b to site index 2a, 2b]]</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>eigtol</strong> (<em>float</em>) – tolerance for determining if two sites are</p></li>
<li><p><strong>symmetry</strong> (<em>related by</em>) – </p></li>
<li><p><strong>opstol</strong> (<em>float</em>) – tolerance for determining if a symmetry</p></li>
<li><p><strong>sites</strong> (<em>operation relates two</em>) – </p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>list of symmetry operations mapping equivalent sites and
the indexes of those sites.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_asum_FCM">
<span class="sig-name descname"><span class="pre">get_asum_FCM</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fcm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ndarray</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">numiter</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</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">15</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L532-L618"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_asum_FCM" title="Permalink to this definition"></a></dt>
<dd><p>Generate a symmeterized force constant matrix that obeys the objects symmetry
constraints and obeys the acoustic sum rule through an iterative procedure</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>fcm</strong> (<em>numpy array</em>) – 3Nx3N unsymmeterized force constant matrix</p></li>
<li><p><strong>numiter</strong> (<em>int</em>) – number of iterations to attempt to obey the acoustic sum
rule</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>numpy array representing the force constant matrix</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_rand_FCM">
<span class="sig-name descname"><span class="pre">get_rand_FCM</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">asum</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">15</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">force</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../../../../.venv/py311/lib/python3.11/site-packages/monty/dev.py#L620-L667"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_rand_FCM" title="Permalink to this definition"></a></dt>
<dd><p>Generate a symmeterized force constant matrix from an unsymmeterized matrix
that has no unstable modes and also obeys the acoustic sum rule through an
iterative procedure</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>force</strong> (<em>float</em>) – maximum force constant</p></li>
<li><p><strong>asum</strong> (<em>int</em>) – number of iterations to attempt to obey the acoustic sum
rule</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>NxNx3x3 np.array representing the force constant matrix</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_stable_FCM">
<span class="sig-name descname"><span class="pre">get_stable_FCM</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fcm</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">fcmasum</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L483-L528"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_stable_FCM" title="Permalink to this definition"></a></dt>
<dd><p>Generate a symmeterized force constant matrix that obeys the objects symmetry
constraints, has no unstable modes and also obeys the acoustic sum rule through an
iterative procedure</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>fcm</strong> (<em>numpy array</em>) – unsymmeterized force constant matrix</p></li>
<li><p><strong>fcmasum</strong> (<em>int</em>) – number of iterations to attempt to obey the acoustic sum
rule</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>3Nx3N numpy array representing the force constant matrix</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_symmetrized_FCM">
<span class="sig-name descname"><span class="pre">get_symmetrized_FCM</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">unsymmetrized_fcm</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_force</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L425-L481"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_symmetrized_FCM" title="Permalink to this definition"></a></dt>
<dd><p>Generate a symmeterized force constant matrix from an unsymmeterized matrix</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>unsymmetrized_fcm</strong> (<em>numpy array</em>) – unsymmeterized force constant matrix</p></li>
<li><p><strong>max_charge</strong> (<em>float</em>) – maximum born effective charge value</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>3Nx3N numpy array representing the force constant matrix</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_unstable_FCM">
<span class="sig-name descname"><span class="pre">get_unstable_FCM</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">max_force</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L366-L423"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.ForceConstantMatrix.get_unstable_FCM" title="Permalink to this definition"></a></dt>
<dd><p>Generate an unsymmeterized force constant matrix</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>max_charge</strong> (<em>float</em>) – maximum born effective charge value</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>numpy array representing the force constant matrix</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.InternalStrainTensor">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">InternalStrainTensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">ist</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pointops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</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">0.001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L173-L265"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.InternalStrainTensor" 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>This class describes the Nx3x3x3 internal tensor defined by a
structure, point operations of the structure’s atomic sites.</p>
<p>Create an InternalStrainTensor object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>input_matrix</strong> (<em>Nx3x3x3 array-like</em>) – the Nx3x3x3 array-like
representing the internal strain tensor</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.InternalStrainTensor.get_IST_operations">
<span class="sig-name descname"><span class="pre">get_IST_operations</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">opstol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L196-L234"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.InternalStrainTensor.get_IST_operations" title="Permalink to this definition"></a></dt>
<dd><p>Returns the symmetry operations which maps the tensors
belonging to equivalent sites onto each other in the form
[site index 1, site index 2, [Symmops mapping from site
index 1 to site index 2]]</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>opstol</strong> (<em>float</em>) – tolerance for determining if a symmetry</p></li>
<li><p><strong>sites</strong> (<em>operation relates two</em>) – </p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>list of symmetry operations mapping equivalent sites and
the indexes of those sites.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.InternalStrainTensor.get_rand_IST">
<span class="sig-name descname"><span class="pre">get_rand_IST</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">max_force</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L236-L265"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.InternalStrainTensor.get_rand_IST" title="Permalink to this definition"></a></dt>
<dd><p>Generate a random internal strain tensor which obeys a structure’s
symmetry and the acoustic sum rule</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>max_force</strong> (<em>float</em>) – maximum born effective charge value</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>InternalStrainTensor object</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.get_piezo">
<span class="sig-name descname"><span class="pre">get_piezo</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">BEC</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IST</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">FCM</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rcond</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0001</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../analysis/piezo_sensitivity.py#L670-L694"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.get_piezo" title="Permalink to this definition"></a></dt>
<dd><p>Generate a random piezoelectric tensor based on a structure and corresponding
symmetry</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>BEC</strong> (<em>numpy array</em>) – Nx3x3 array representing the born effective charge tensor</p></li>
<li><p><strong>IST</strong> (<em>numpy array</em>) – Nx3x3x3 array representing the internal strain tensor</p></li>
<li><p><strong>FCM</strong> (<em>numpy array</em>) – NxNx3x3 array representing the born effective charge tensor</p></li>
<li><p><strong>rcondy</strong> (<em>float</em>) – condition for excluding eigenvalues in the pseudoinverse</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>3x3x3 calculated Piezo tensor</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.piezo_sensitivity.rand_piezo">
<span class="sig-name descname"><span class="pre">rand_piezo</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">struct</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pointops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sharedops</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">BEC</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IST</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">FCM</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">anumiter</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../../../../.venv/py311/lib/python3.11/site-packages/monty/dev.py#L697-L729"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.piezo_sensitivity.rand_piezo" title="Permalink to this definition"></a></dt>
<dd><p>Generate a random piezoelectric tensor based on a structure and corresponding
symmetry</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>struct</strong> (<em>pymatgen structure</em>) – structure whose symmetry operations the piezo tensor must obey</p></li>
<li><p><strong>pointops</strong> – list of point operations obeyed by a single atomic site</p></li>
<li><p><strong>sharedops</strong> – list of point operations shared by a pair of atomic sites</p></li>
<li><p><strong>BEC</strong> (<em>numpy array</em>) – Nx3x3 array representing the born effective charge tensor</p></li>
<li><p><strong>IST</strong> (<em>numpy array</em>) – Nx3x3x3 array representing the internal strain tensor</p></li>
<li><p><strong>FCM</strong> (<em>numpy array</em>) – NxNx3x3 array representing the born effective charge tensor</p></li>
<li><p><strong>anumiter</strong> (<em>int</em>) – number of iterations for acoustic sum rule convergence</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>list in the form of [Nx3x3 random born effective charge tenosr,
Nx3x3x3 random internal strain tensor, NxNx3x3 random force constant matrix, 3x3x3 piezo tensor]</p>
</dd>
</dl>
</dd></dl>
</section>
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