Phono3py installations at NSC


Directory list:

VersionDescription
0.9.13 version 0.9.13

Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Phono3py is an open source package for phonon-phonon interaction related properties. This package includes the developer version of Phonopy.

OBS: when you load the phono3py module, the included phonopy version is also loaded.

The Phono3py installations are generally maintained by Weine Olovsson (weiol@nsc.liu.se).

Features:

  • Lattice thermal conductivity
  • Phonon lifetime/linewidth
  • Imaginary part of self energy at the lowest order
  • Joint density of states (JDOS) and weighted-JDOS

How to run

Load a Python module and the Phono3py module corresponding to the version you want to use, e.g

module load python/2.7.6 phono3py/0.9.13

This will add the phono3py command and relevant modules to your search path.

Please note that in order to display graphical plots, you need to log in with X-forwarding enabled, or through the NSC thin client solution. NSC recommends the thin client solution.