phonons
Monte Carlo simulator of phonon and heat transport in nanostructures
IRMA - One phonon model, three outputs: ENDF-6 thermal scattering evaluations, instrument-resolved INS spectra, and NCrystal transport kernels; a machine-learned-potential front end starts from a bare crystal structure.
The official AiiDA plugin for Phonopy
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..
