janosh/ffonons
Phonons from ML force fields
This tool helps materials scientists and researchers quickly analyze and predict how atoms vibrate within a crystal lattice. By inputting atomic structure data, it generates phonon bands and densities of states, allowing for comparisons between different machine learning force fields and experimental or reference data. It's designed for anyone needing to understand the vibrational properties of materials.
No commits in the last 6 months. Available on PyPI.
Use this if you need to evaluate and compare the accuracy of machine learning force fields for predicting material phonon properties.
Not ideal if you need to calculate phonon properties directly from first-principles simulations rather than analyze existing force fields.
Stars
23
Forks
2
Language
Python
License
—
Category
Last pushed
Jul 07, 2025
Commits (30d)
0
Dependencies
9
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