Releases: JaGeo/AtomicContributions
Releases · JaGeo/AtomicContributions
AtomicContributions
AtomicContributions
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.
AtomicContributions
The script calculates atomic contributions to phonon modes at the Gamma point. Compatible with newest phonopy version and only python3.
AtomicContributions
The script calculates atomic contributions to phonon modes at the Gamma point. Compatible with newest phonopy version and only python3.
AtomicContributions
The script calculates atomic contributions to phonon modes at the Gamma point.
First release
Basic functionalities are available.
First test release
v1.0-beta Small changes