Phono3py is an extension of Phonopy to handle phonon-phonon interaction related properties such as:

  • Lattice thermal conductivity
  • Phonon lifetime/linewidth
  • Imaginary part of the self energy to lowest order
  • Joind density of states (JDOS) and weighted JDOS.

User instructions

Phono3py is available via the modules system. To add it to your environment run:

$ module load phonopy/

This adds the main phono3py program (called ‘phono3py’) to your environment, along with some more specialised programs.

Extensive documentation, examples and tutorials can be found on the phono3py website.



Admin notes

It looks like we have all the dependencies already installed on workstations by default. It was compiled for both python2 and python3 as follows:

mkdir -p /common/debian/9.1/PythonPackages/python/2.7/phono3py/phono3py-
PYTHONPATH=/common/debian/9.1/PythonPackages/python/2.7/phono3py/phono3py- python install --prefix=/common/debian/9.1/PythonPackages/python/2.7/phono3py/phono3py-

mkdir -p /common/debian/9.1/PythonPackages/python/3.5/phono3py/phono3py-
PYTHONPATH=/common/debian/9.1/PythonPackages/python/3.5/phono3py/phono3py- python3 install --prefix=/common/debian/9.1/PythonPackages/python/3.5/phono3py/phono3py-