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Published January 10, 2019 | Version v1.2
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-v1.2.zip

Files (177.5 kB)

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md5:35dc0d47240ea3462562be7c3842d931
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Additional details

Related works

Is supplement to
https://github.com/JaGeo/AtomicContributions/tree/v1.2 (URL)