Welcome to phonopy#
Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels.
Phono3py is another open source package for phonon-phonon interaction and lattice thermal conductivity calculations. See the documentation at http://phonopy.github.io/phono3py/
Phonon database: A collection of first principles phonon calculations is available as open data at http://phonondb.mtl.kyoto-u.ac.jp/ , where the raw data of phonopy & VASP results are downloaded.
The following features of phonopy are highlighted:
Phonon thermal properties: Free energy, heat capacity (Cv), and entropy
Quasi-harmonic approximation: Thermal expansion, heat capacity at constant pressure (Cp)
A presentation in pdf for introduction to phonopy is downloaded here.
For questions, bug reports, and comments, please visit https://lists.sourceforge.net/lists/listinfo/phonopy-users to subscribe the phonopy mailing list and send them to email@example.com. Message body including attached files has to be smaller than 300 KB.
New BSD from version 1.3.
(LGPL from ver. 0.9.3 to version 1.2.1., GPL to version 0.9.2.)
Author: Atsushi Togo