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# Sphinx build info version 1
# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
config: dde99a847e98b17b60d67eba735406f5
config: fb5402171769363b717caa3a3d30a0cd
tags: 645f666f9bcd5a90fca523b33c5a78b7

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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>How to write phono3py documentation &#8212; Phono3py v.3.17.1</title>
<title>How to write phono3py documentation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
_sources/changelog.md
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@ -2,6 +2,12 @@
# Change Log
## Jul-22-2025: Version 3.18.0
- Changed `Phono3py.run_imag_self_energy()` to return `ImagSelfEnergyValues`.
- Traditional force constants symmetrizer now applies translational and
permutation symmetries alternately 3 times in succession (previously once).
## Jul-5-2025: Version 3.17.1
- Fix direct-solution crashing when executed via command line

8
_sources/command-options.md
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@ -758,8 +758,8 @@ where the averaged phonon-phonon interaction that is read from
`kappa-mxxx(-sx-sdx).hdf5` file is used if it exists in the file. Therefore the
averaged phonon-phonon interaction has to be stored before using this option
(see {ref}`--full-pp <full_pp_option>`). The calculation result **overwrites**
`kappa-mxxx(-sx-sdx).hdf5` file. Therefore to use this option together with `-o`
option is strongly recommended.
`kappa-mxxx(-sx-sdx).hdf5` file. Therefore the original
`kappa-mxxx(-sx-sdx).hdf5` file should be backed up.
First, run full conductivity calculation,
@ -1224,10 +1224,6 @@ set. Other filters (`lzf` or integer values of 0 to 9) may be used, see h5py
documentation
(<http://docs.h5py.org/en/stable/high/dataset.html#filter-pipeline>).
### `-o`, `-i`, `--io`
These options are deprecated.
<!-- (output_filename_option)=
### `-o` (command option only)

2
_static/documentation_options.js
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@ -1,5 +1,5 @@
const DOCUMENTATION_OPTIONS = {
VERSION: '3.17.1',
VERSION: '3.18.0',
LANGUAGE: 'en',
COLLAPSE_INDEX: false,
BUILDER: 'html',

6
auxiliary-tools.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Auxiliary tools &#8212; Phono3py v.3.17.1</title>
<title>Auxiliary tools &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

16
changelog.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Change Log &#8212; Phono3py v.3.17.1</title>
<title>Change Log &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -133,7 +133,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">
@ -325,6 +325,7 @@ document.write(`
</div>
<nav aria-label="Page">
<ul class="visible nav section-nav flex-column">
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2025-version-3-18-0">Jul-22-2025: Version 3.18.0</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-5-2025-version-3-17-1">Jul-5-2025: Version 3.17.1</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jun-26-2025-version-3-17-0">Jun-26-2025: Version 3.17.0</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jun-12-2025-version-3-16-0">Jun-12-2025: Version 3.16.0</a></li>
@ -439,6 +440,14 @@ document.write(`
<section class="tex2jax_ignore mathjax_ignore" id="change-log">
<span id="changelog"></span><h1>Change Log<a class="headerlink" href="#change-log" title="Link to this heading">#</a></h1>
<section id="jul-22-2025-version-3-18-0">
<h2>Jul-22-2025: Version 3.18.0<a class="headerlink" href="#jul-22-2025-version-3-18-0" title="Link to this heading">#</a></h2>
<ul class="simple">
<li><p>Changed <code class="docutils literal notranslate"><span class="pre">Phono3py.run_imag_self_energy()</span></code> to return <code class="docutils literal notranslate"><span class="pre">ImagSelfEnergyValues</span></code>.</p></li>
<li><p>Traditional force constants symmetrizer now applies translational and
permutation symmetries alternately 3 times in succession (previously once).</p></li>
</ul>
</section>
<section id="jul-5-2025-version-3-17-1">
<h2>Jul-5-2025: Version 3.17.1<a class="headerlink" href="#jul-5-2025-version-3-17-1" title="Link to this heading">#</a></h2>
<ul class="simple">
@ -1339,6 +1348,7 @@ a mesh number is an even number, it is more carefully treated.</p></li>
</div>
<nav class="bd-toc-nav page-toc">
<ul class="visible nav section-nav flex-column">
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-22-2025-version-3-18-0">Jul-22-2025: Version 3.18.0</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jul-5-2025-version-3-17-1">Jul-5-2025: Version 3.17.1</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jun-26-2025-version-3-17-0">Jun-26-2025: Version 3.17.0</a></li>
<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#jun-12-2025-version-3-16-0">Jun-12-2025: Version 3.16.0</a></li>

6
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>How to cite phono3py &#8212; Phono3py v.3.17.1</title>
<title>How to cite phono3py &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

16
command-options.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Command options / Setting tags &#8212; Phono3py v.3.17.1</title>
<title>Command options / Setting tags &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">
@ -448,7 +448,6 @@ document.write(`
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#read-phonon-read-phonon-true"><code class="docutils literal notranslate"><span class="pre">--read-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#write-pp-write-pp-true-and-read-pp-read-pp-true"><code class="docutils literal notranslate"><span class="pre">--write-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>) and <code class="docutils literal notranslate"><span class="pre">--read-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#hdf5-compression-command-option-only"><code class="docutils literal notranslate"><span class="pre">--hdf5-compression</span></code> (command option only)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#o-i-io"><code class="docutils literal notranslate"><span class="pre">-o</span></code>, <code class="docutils literal notranslate"><span class="pre">-i</span></code>, <code class="docutils literal notranslate"><span class="pre">--io</span></code></a></li>
</ul>
</li>
</ul>
@ -1081,8 +1080,8 @@ where the averaged phonon-phonon interaction that is read from
<code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> file is used if it exists in the file. Therefore the
averaged phonon-phonon interaction has to be stored before using this option
(see <a class="reference internal" href="#full-pp-option"><span class="std std-ref">–full-pp</span></a>). The calculation result <strong>overwrites</strong>
<code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> file. Therefore to use this option together with <code class="docutils literal notranslate"><span class="pre">-o</span></code>
option is strongly recommended.</p>
<code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> file. Therefore the original
<code class="docutils literal notranslate"><span class="pre">kappa-mxxx(-sx-sdx).hdf5</span></code> file should be backed up.</p>
<p>First, run full conductivity calculation,</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>%<span class="w"> </span>phono3py-load<span class="w"> </span>-v<span class="w"> </span>--mesh<span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">32</span><span class="w"> </span><span class="m">20</span><span class="w"> </span>--br
</pre></div>
@ -1479,10 +1478,6 @@ compression filter. To avoid compression, <code class="docutils literal notransl
set. Other filters (<code class="docutils literal notranslate"><span class="pre">lzf</span></code> or integer values of 0 to 9) may be used, see h5py
documentation
(<a class="reference external" href="http://docs.h5py.org/en/stable/high/dataset.html#filter-pipeline">http://docs.h5py.org/en/stable/high/dataset.html#filter-pipeline</a>).</p>
</section>
<section id="o-i-io">
<h3><code class="docutils literal notranslate"><span class="pre">-o</span></code>, <code class="docutils literal notranslate"><span class="pre">-i</span></code>, <code class="docutils literal notranslate"><span class="pre">--io</span></code><a class="headerlink" href="#o-i-io" title="Link to this heading">#</a></h3>
<p>These options are deprecated.</p>
<!-- (output_filename_option)=
### `-o` (command option only)
@ -1699,7 +1694,6 @@ This is equivalent to setting `-i` and `-o` simultaneously. -->
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#read-phonon-read-phonon-true"><code class="docutils literal notranslate"><span class="pre">--read-phonon</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PHONON</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#write-pp-write-pp-true-and-read-pp-read-pp-true"><code class="docutils literal notranslate"><span class="pre">--write-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">WRITE_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>) and <code class="docutils literal notranslate"><span class="pre">--read-pp</span></code> (<code class="docutils literal notranslate"><span class="pre">READ_PP</span> <span class="pre">=</span> <span class="pre">.TRUE.</span></code>)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#hdf5-compression-command-option-only"><code class="docutils literal notranslate"><span class="pre">--hdf5-compression</span></code> (command option only)</a></li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#o-i-io"><code class="docutils literal notranslate"><span class="pre">-o</span></code>, <code class="docutils literal notranslate"><span class="pre">-i</span></code>, <code class="docutils literal notranslate"><span class="pre">--io</span></code></a></li>
</ul>
</li>
</ul>

6
crystal.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>CRYSTAL &amp; phono3py calculation &#8212; Phono3py v.3.17.1</title>
<title>CRYSTAL &amp; phono3py calculation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
cutoff-pair.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Force constants calculation with cutoff pair-distance &#8212; Phono3py v.3.17.1</title>
<title>Force constants calculation with cutoff pair-distance &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
direct-solution.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Direct solution of linearized phonon Boltzmann equation &#8212; Phono3py v.3.17.1</title>
<title>Direct solution of linearized phonon Boltzmann equation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
examples.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Examples &#8212; Phono3py v.3.17.1</title>
<title>Examples &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
external-tools.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>External tools &#8212; Phono3py v.3.17.1</title>
<title>External tools &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
genindex.html
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@ -7,7 +7,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Index &#8212; Phono3py v.3.17.1</title>
<title>Index &#8212; Phono3py v.3.18.0</title>
@ -35,7 +35,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
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<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -131,7 +131,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

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grid.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Grids in reciprocal space &#8212; Phono3py v.3.17.1</title>
<title>Grids in reciprocal space &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Using phono3py hdf5 files &#8212; Phono3py v.3.17.1</title>
<title>Using phono3py hdf5 files &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
index.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Welcome to phono3py &#8212; Phono3py v.3.17.1</title>
<title>Welcome to phono3py &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -133,7 +133,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
input-output-files.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Input / Output files &#8212; Phono3py v.3.17.1</title>
<title>Input / Output files &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
install.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Installation &#8212; Phono3py v.3.17.1</title>
<title>Installation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
interfaces.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Interfaces to calculators &#8212; Phono3py v.3.17.1</title>
<title>Interfaces to calculators &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

BIN
objects.inv
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phono3py-api.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Phono3py API &#8212; Phono3py v.3.17.1</title>
<title>Phono3py API &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
phono3py-load.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>phono3py-load command &#8212; Phono3py v.3.17.1</title>
<title>phono3py-load command &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
pypolymlp.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Force constants calculation using pypolymlp (machine learning potential) &#8212; Phono3py v.3.17.1</title>
<title>Force constants calculation using pypolymlp (machine learning potential) &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
qe.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Quantum ESPRESSO (pw) &amp; phono3py calculation &#8212; Phono3py v.3.17.1</title>
<title>Quantum ESPRESSO (pw) &amp; phono3py calculation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
random-displacements.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Force constants calculation with random displacements of atoms &#8212; Phono3py v.3.17.1</title>
<title>Force constants calculation with random displacements of atoms &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
reference.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>References &#8212; Phono3py v.3.17.1</title>
<title>References &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
search.html
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@ -6,7 +6,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - Phono3py v.3.17.1</title>
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - Phono3py v.3.18.0</title>
@ -34,7 +34,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -133,7 +133,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

2
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turbomole.html
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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>TURBOMOLE &amp; phono3py calculation &#8212; Phono3py v.3.17.1</title>
<title>TURBOMOLE &amp; phono3py calculation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
vasp.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>VASP &amp; phono3py calculation &#8212; Phono3py v.3.17.1</title>
<title>VASP &amp; phono3py calculation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
wigner-solution.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Solution of the Wigner transport equation &#8212; Phono3py v.3.17.1</title>
<title>Solution of the Wigner transport equation &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -134,7 +134,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
workflow.html
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@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Workflow &#8212; Phono3py v.3.17.1</title>
<title>Workflow &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">

6
workload-distribution.html
View File

@ -8,7 +8,7 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<title>Workload distribution &#8212; Phono3py v.3.17.1</title>
<title>Workload distribution &#8212; Phono3py v.3.18.0</title>
@ -36,7 +36,7 @@
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
<script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
<script src="_static/documentation_options.js?v=461f20ff"></script>
<script src="_static/documentation_options.js?v=ed6397c1"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
@ -132,7 +132,7 @@
<p class="title logo__title">Phono3py v.3.17.1</p>
<p class="title logo__title">Phono3py v.3.18.0</p>
</a></div>
<div class="sidebar-primary-item">