diff --git a/doc/changelog.md b/doc/changelog.md index d7de7bb..4b02be0 100644 --- a/doc/changelog.md +++ b/doc/changelog.md @@ -2,6 +2,10 @@ # Change Log +# Mar-6-2026: Version 0.13.0 + +- Maintenance release + # Feb-16-2026: Version 0.12.0 - Maintenance release diff --git a/doc/conf.py b/doc/conf.py index 1e037c5..e1db2b1 100644 --- a/doc/conf.py +++ b/doc/conf.py @@ -10,8 +10,8 @@ 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 diff --git a/doc/index.md b/doc/index.md index 0d2a360..0f90138 100644 --- a/doc/index.md +++ b/doc/index.md @@ -1,21 +1,23 @@ # 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 ` command-line tool, which systematically +orchestrates the phelel and VASP workflows. +``` ## License diff --git a/pyproject.toml b/pyproject.toml index 2d1825a..0f8ac75 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,8 +12,8 @@ authors = [ ] 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", diff --git a/src/phelel/version.py b/src/phelel/version.py index 7b0a3c9..cd750a6 100644 --- a/src/phelel/version.py +++ b/src/phelel/version.py @@ -1,3 +1,3 @@ """Version number.""" -__version__ = "0.12.0" +__version__ = "0.13.0"