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1 change: 1 addition & 0 deletions README.html
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<li class="toctree-l1"><a class="reference internal" href="phono3py-load.html">phono3py-load command</a></li>
<li class="toctree-l1"><a class="reference internal" href="tips.html">Tips</a></li>
<li class="toctree-l1"><a class="reference internal" href="citation.html">How to cite phono3py</a></li>
<li class="toctree-l1"><a class="reference internal" href="reference.html">References</a></li>
<li class="toctree-l1"><a class="reference internal" href="changelog.html">Change Log</a></li>
</ul>

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24 changes: 16 additions & 8 deletions _sources/command-options.md
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Expand Up @@ -605,7 +605,9 @@ where $N$ is the number of grid points on the sampling mesh.
$\Phi_{\lambda \lambda' \lambda''} \equiv 0$ unless
$\mathbf{q} + \mathbf{q}' + \mathbf{q}'' = \mathbf{G}$.

See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`.
<!-- See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`. -->

See also {ref}`reference papers <ave_pp_reference>`.

This option works only when `--read-gamma` and `--br` options are activated
where the averaged phonon-phonon interaction that is read from
Expand Down Expand Up @@ -635,7 +637,11 @@ constant value and $|\Phi_{\lambda \lambda'
{ref}`--ave-pp <ave_pp_option>` for thermal conductivity calculation. This
option works only when `--br` options are activated. Therefore third-order force
constants are not necessary to input. The physical unit of the value is
$\text{eV}^2$. See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`.
$\text{eV}^2$.

<!-- See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`. -->

See also {ref}`reference papers <ave_pp_reference>`.

```bash
% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --const-ave-pp=1e-10
Expand Down Expand Up @@ -826,7 +832,9 @@ $$

respectively. In the above formulae, angular frequency $\omega$ is used, but in
the calculation results, ordinal frequency $\nu$ is used. Be careful about
$2\pi$ treatment. See also references {cite}`Togo-PRB-2015,Togo-JPCM-2022`.
$2\pi$ treatment.

See also {ref}`reference papers <spectral_function_reference>`.

(ise_option)=

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\int_0^\infty \frac{d\omega}{2\pi} A_\lambda(\omega) = 1.
$$

See also reference {cite}`Togo-JPCM-2022`.
See also {ref}`reference papers <spectral_function_reference>`.

### `--spf` (`SPECTRAL_FUNCTION = .TRUE.`)

Expand Down Expand Up @@ -944,7 +952,7 @@ $$
\end{align}
$$

(See also references {cite}`Togo-PRB-2015,Togo-JPCM-2022`.)
See also {ref}`reference papers <spectral_function_reference>`.

```bash
% phono3py --fc2 --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="16 16 16" --jdos --ga="0 0 0 8 8 8"
Expand All @@ -970,7 +978,7 @@ $$
\end{align}
$$

(See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018,Togo-JPCM-2022`.)
See also {ref}`reference papers <spectral_function_reference>`.

```bash
% phono3py --fc2 --dim="2 2 2" --pa="F" -c POSCAR-unitcell --mesh="16 16 16" --jdos --ga="0 0 0 8 8 8" --ts=300
Expand Down Expand Up @@ -1247,8 +1255,8 @@ This modifies default input and output file names.

This is equivalent to setting `-i` and `-o` simultaneously.

## References
<!-- ## References
```{bibliography}
:filter: docname in docnames
```
``` -->
12 changes: 8 additions & 4 deletions _sources/cutoff-pair.md
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(command_cutoff_pair)=

# Force constants calculation with cutoff pair-distance

Here the detail of the command option {ref}`--cutoff_pair <cutoff_pair_option>`
is explained. See also reference {cite}`Mizokami-PRB-2018`.
is explained.

<!-- See also reference {cite}`Mizokami-PRB-2018`. -->

See also {ref}`a reference paper <cutoff_pair_reference>`.

```{contents}
:depth: 2
Expand Down Expand Up @@ -270,7 +275,6 @@ if data2['distance'] < 5.0: # 5.0 is cutoff-pair distance
we can find the supercell IDs almost equivalent to those obtained
above for `--cutoff-pair="5.0"`.


## Tests

### Si-PBE
Expand Down Expand Up @@ -429,7 +433,7 @@ number_of_pairs_in_cutoff: 1248
300.0 235.728 235.728 219.102 0.000 -0.000 -0.000
```

## References
<!-- ## References
```{bibliography}
:filter: docname in docnames
```
``` -->
13 changes: 3 additions & 10 deletions _sources/index.md
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Expand Up @@ -4,8 +4,8 @@ This software calculates phonon-phonon interaction and related properties using
the supercell approach. For example, the following physical values are obtained:

- {ref}`Lattice thermal conductivity by relaxation time approximation
and direct-solution of phonon Boltzmann equation and
the Wigner transport equation <LTC_options>`
and direct-solution of phonon Boltzmann equation and
the Wigner transport equation <LTC_options>`
- {ref}`Cummulative lattice thermal conductivity and related properties <auxiliary_tools_kaccum>`
- {ref}`self_energy_options` (Phonon lifetime/linewidth)
- {ref}`jdos_option`
Expand All @@ -17,14 +17,6 @@ the supercell approach. For example, the following physical values are obtained:
- API is prepared to operate phono3py from Python
([example](https://github.com/phonopy/phono3py/blob/master/example/Si-PBEsol/Si.py)).

Papers that may introduce phono3py:

- Theoretical background is summarized in this paper:
http://dx.doi.org/10.1103/PhysRevB.91.094306 (arxiv
http://arxiv.org/abs/1501.00691).
- Introduction to phono3py application:
https://doi.org/10.1103/PhysRevB.97.224306 (open access).

```{image} Si-kaccum.png
:width: 20%
```
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phono3py-load
tips
citation
reference
changelog
```

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49 changes: 45 additions & 4 deletions _sources/reference.md
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# References

(reviews_reference)=

## Reviews

- "First-principles Phonon Calculations with Phonopy and Phono3py" Atsushi Togo,
J. Phys. Soc. Jpn. **92**, 012001-1-21 (2023)
[[doi](https://doi.org/10.7566/JPSJ.92.012001)] open access

- "Implementation strategies in phonopy and phono3py" Atsushi Togo, Laurent
Chaput, Terumasa Tadano, Isao Tanaka, J. Phys.: Condens. Matter **35**,
353001-1-22 (2023) [[doi](https://doi.org/10.1088/1361-648x/acd831)] open
access

(ave_pp_reference)=

## Averaged phonon-phonon interaction strength

- "Distributions of phonon lifetimes in Brillouin zones" Atsushi Togo, Laurent
Chaput, and Isao Tanaka, Phys. Rev. B, **91**, 094306-1-31 (2015).
[[doi](https://doi.org/10.1103/PhysRevB.91.094306)]

- "Lattice thermal conductivities of two SiO2 polymorphs by first-principles
calculations and the phonon Boltzmann transport equation" Keiyu Mizokami,
Atsushi Togo, and Isao Tanaka, Phys. Rev. B **97**, 224306-1-10 (2018)
[[doi](https://doi.org/10.1103/PhysRevB.97.224306)] open access

(cutoff_pair_reference)=

## Cutoff-pair displacements

- "Lattice thermal conductivities of two SiO2 polymorphs by first-principles
calculations and the phonon Boltzmann transport equation" Keiyu Mizokami,
Atsushi Togo, and Isao Tanaka, Phys. Rev. B **97**, 224306-1-10 (2018)
[[doi](https://doi.org/10.1103/PhysRevB.97.224306)] open access

(spectral_function_reference)=

## Self-energy, spectral function, joint-density of states

“LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering
measurements and first principles calculations” Atsushi Togo, Hiroyuki Hayashi,
Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka, J. Phys.: Condens. Matter 34,
365401-1-15 (2022) [[doi]](https://doi.org/10.1088/1361-648X/ac7b01).
- "LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering
measurements and first principles calculations" Atsushi Togo, Hiroyuki
Hayashi, Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka, J. Phys.: Condens.
Matter **34**, 365401-1-15 (2022)
[[doi](https://doi.org/10.1088/1361-648X/ac7b01)] open access

- "First-principles Phonon Calculations with Phonopy and Phono3py" Atsushi Togo,
J. Phys. Soc. Jpn. **92**, 012001-1-21 (2023)
[[doi](https://doi.org/10.7566/JPSJ.92.012001)] open access
1 change: 1 addition & 0 deletions auxiliary-tools.html
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<li class="toctree-l1"><a class="reference internal" href="phono3py-load.html">phono3py-load command</a></li>
<li class="toctree-l1"><a class="reference internal" href="tips.html">Tips</a></li>
<li class="toctree-l1"><a class="reference internal" href="citation.html">How to cite phono3py</a></li>
<li class="toctree-l1"><a class="reference internal" href="reference.html">References</a></li>
<li class="toctree-l1"><a class="reference internal" href="changelog.html">Change Log</a></li>
</ul>

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7 changes: 4 additions & 3 deletions changelog.html
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<script>DOCUMENTATION_OPTIONS.pagename = 'changelog';</script>
<link rel="index" title="Index" href="genindex.html" />
<link rel="search" title="Search" href="search.html" />
<link rel="prev" title="How to cite phono3py" href="citation.html" />
<link rel="prev" title="References" href="reference.html" />
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<meta name="docsearch:language" content="en"/>
</head>
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<li class="toctree-l1"><a class="reference internal" href="phono3py-load.html">phono3py-load command</a></li>
<li class="toctree-l1"><a class="reference internal" href="tips.html">Tips</a></li>
<li class="toctree-l1"><a class="reference internal" href="citation.html">How to cite phono3py</a></li>
<li class="toctree-l1"><a class="reference internal" href="reference.html">References</a></li>
<li class="toctree-l1 current active"><a class="current reference internal" href="#">Change Log</a></li>
</ul>

Expand Down Expand Up @@ -942,12 +943,12 @@ <h2>Changes in version 0.6.0<a class="headerlink" href="#changes-in-version-0-6-
<!-- Previous / next buttons -->
<div class="prev-next-area">
<a class="left-prev"
href="citation.html"
href="reference.html"
title="previous page">
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<p class="prev-next-subtitle">previous</p>
<p class="prev-next-title">How to cite phono3py</p>
<p class="prev-next-title">References</p>
</div>
</a>
</div>
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7 changes: 4 additions & 3 deletions citation.html
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<script>DOCUMENTATION_OPTIONS.pagename = 'citation';</script>
<link rel="index" title="Index" href="genindex.html" />
<link rel="search" title="Search" href="search.html" />
<link rel="next" title="Change Log" href="changelog.html" />
<link rel="next" title="References" href="reference.html" />
<link rel="prev" title="Tips" href="tips.html" />
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<meta name="docsearch:language" content="en"/>
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<li class="toctree-l1"><a class="reference internal" href="phono3py-load.html">phono3py-load command</a></li>
<li class="toctree-l1"><a class="reference internal" href="tips.html">Tips</a></li>
<li class="toctree-l1 current active"><a class="current reference internal" href="#">How to cite phono3py</a></li>
<li class="toctree-l1"><a class="reference internal" href="reference.html">References</a></li>
<li class="toctree-l1"><a class="reference internal" href="changelog.html">Change Log</a></li>
</ul>

Expand Down Expand Up @@ -453,11 +454,11 @@ <h2>Citation of solution of the Wigner transport equation (<code class="docutils
</div>
</a>
<a class="right-next"
href="changelog.html"
href="reference.html"
title="next page">
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