There is a newer version of the record available.

Published June 4, 2019 | Version 1.4
Software Open

JaGeo/AtomicContributions: AtomicContributions

Authors/Creators

  • 1. Université catholique de Louvain

Description

The script calculates atomic contributions to phonon modes at the Gamma point. Compatible with newest phonopy version and only python3. It now includes basic unit tests.

Files

JaGeo/AtomicContributions-1.4.zip

Files (290.8 kB)

Name Size Download all
md5:90e977d6d0891b68a4483db20abd84a8
290.8 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/JaGeo/AtomicContributions/tree/1.4 (URL)