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1. phonopy phonopy Public

   Forked from phonopy/phonopy

   Phonon code

   Python

2. abacus-develop abacus-develop Public

   Forked from deepmodeling/abacus-develop

   An electronic structure package based on either plane wave basis or numerical atomic orbitals.

   C++

3. pyatb/pyatb pyatb/pyatb Public

   Ab initio tight binding simuation package

   Python 19 6