aiida_pythonjob_ins.workflows.dos

A WorkChain computing a phonon density of states.

After ForceConstantsWorkChain resolves the force constants (read from a CASTEP file via a PythonJob, or taken from a supplied node), a single PythonJob samples a Monkhorst-Pack grid and computes the DOS; the euphonic Spectrum1D is serialized to a native XyData for easy plotting.