inelasty

A lightweight workflow manager for running VASP-based lattice dynamics and convergence studies for computational INS spectra production on HPC systems using ASE, Slurm, and Phonopy.

For an example of how to use inelasty, see the example notebook.

For documentation on how to produce an INS spectra using abINS from the force constants see abINS tutorial

(Don't deep the deepwiki, it's mainly overly verbose slop)