Euphonic currently uses only harmonic lattice dynamics, but introducing anharmonicity could increase the range of systems that Euphonic can simulate accurately. Tasks:
[ ] AJJ/KR to perform proof-of-concept import of renormalised harmonic phonons into Euphonic. (This may Just Work™ using Phonopy format as an intermediate, but likely some fiddling will be required.)
In principle this can be done using tutorial data or cheap force calculators, without waiting for item 1
[ ] Deeper exploration of molecular dynamics sampling. This could act as validation of Lorentzian broadening, as well as provide a way to access anharmonic and multi-phonon contributions simultaneously.
Euphonic currently uses only harmonic lattice dynamics, but introducing anharmonicity could increase the range of systems that Euphonic can simulate accurately. Tasks: