Published June 4, 2019
| Version 1.5
Software
Open
JaGeo/AtomicContributions: AtomicContributions
Creators
- 1. Université catholique de Louvain
- 2. RWTH Aachen University
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 and one can install it via pip install.
Files
JaGeo/AtomicContributions-1.5.zip
Files
(290.9 kB)
| Name | Size | Download all |
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md5:3f7efae119f0130cd974a8a16d972306
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Additional details
Related works
- Is supplement to
- https://github.com/JaGeo/AtomicContributions/tree/1.5 (URL)