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 https://doi.org/10.48505/nims.4197 (its list of crystals atztogo/phonondb), where the phonopy input (see How to use PhononDB data) and the force calculation information are downloaded.

The following features of phonopy are highlighted:

A presentation in pdf for introduction to phonopy is downloaded here.

_images/band.png _images/pdos.png _images/thermalprop.png _images/QHA.png

Mailing list#

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 phonopy-users@lists.sourceforge.net. 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.)


  • Atsushi Togo, National Institute for Materials Science


Phonopy development is supported by:

  • National Institute for Materials Science

Indices and tables#