There is a newer version of the record available.

Published March 18, 2019 | Version v1.3
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.

Files

JaGeo/AtomicContributions-v1.3.zip

Files (177.5 kB)

Name Size Download all
md5:bfc9fa2d5d1911f88dcb13652db21192
177.5 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/JaGeo/AtomicContributions/tree/v1.3 (URL)