Initially create separate repo for quick implementation of ASE VibrationsData -> Euphonic ForceConstants - [x] Create initial repo: https://github.com/pace-neutrons/ase_euphonic - [x] Proof of concept: vibrational DOS - [ ] Validate eigenvectors: - [ ] Read ASE eigenvectors into Euphonic - [ ] Compare structure factors for ASE-calculated and Euphonic-calculated eigenvectors
Initially create separate repo for quick implementation of ASE VibrationsData -> Euphonic ForceConstants