Tools to convert phonon visualization data into a web-friendly format.
Project description
Phonon web tools
Python tools to convert raw phonon data (from Quantum ESPRESSO) into a web-friendly JSON file that can be visualized with the corresponding frontend.
Used in this repository, but also outside (e.g. in the MC3D data pipeline).
Install and usage
Install either from pypi or locally for development:
pip install phonon-web-tools
# or
pip install -e .
Use the CLI
phonon-web-tools --help
phonon-web-tools ../data/graphene
Run all examples in ../data/ with run_examples.py.
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