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atztogo merged 1 commit into from
Mar 6, 2026
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Set version 0.13.0 #153

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4 changes: 4 additions & 0 deletions doc/changelog.md
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# Change Log

# Mar-6-2026: Version 0.13.0

- Maintenance release

# Feb-16-2026: Version 0.12.0

- Maintenance release
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4 changes: 2 additions & 2 deletions doc/conf.py
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copyright = "2024, Atsushi Togo"
author = "Atsushi Togo"

version = "0.12"
release = "0.12.0"
version = "0.13"
release = "0.13.0"

# -- General configuration ---------------------------------------------------
# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
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22 changes: 12 additions & 10 deletions doc/index.md
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# Phelel

A code that provides a few computations related to electron-phonon interaction
calculation in finite-displacement method reported by
This code provides computations related to electron-phonon interactions using
the finite-displacement method with a supercell approach, as reported in:

- Laurent Chaput, Atsushi Togo, and Isao Tanaka, Phys. Rev. B **100**, 174304
(2019).
(2019).
- Manuel Engel, Henrique Miranda, Laurent Chaput, Atsushi Togo, Carla Verdi,
Martijn Marsman, and Georg Kresse, Phys. Rev. B **106**, 094316 (2022)
- Laurent Chaput, Henrique Miranda, Atsushi Togo, Manuel Engel, Martin Schlipf,
Martijn Marsman, Georg Kresse, Phys. Rev. B **113**, 014313 (2026)

This code couples with VASP code, and the electron-phonon interaction properties
cannot be computed only using this code.

Properties calculated using phelel and VASP codes:

- Thermoelectric properties
- Bandgap renormalization
This code is designed to be used together with the VASP code; electron-phonon
interaction properties cannot be computed using this code alone.

```{note}
To start an electron-phonon calculation with this code, it is recommended to use
the {ref}`velph <velph_command>` command-line tool, which systematically
orchestrates the phelel and VASP workflows.
```

## License

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4 changes: 2 additions & 2 deletions pyproject.toml
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]
requires-python = ">=3.10"
dependencies = [
"phonopy >= 2.48.0",
"phono3py >= 3.25.0",
"phonopy >= 3.0.1",
"phono3py >= 3.27.1",
"spglib >= 2.5.0",
"finufft",
"click",
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2 changes: 1 addition & 1 deletion src/phelel/version.py
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"""Version number."""

__version__ = "0.12.0"
__version__ = "0.13.0"
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