The current Implementation of the phonon workflow works very well for crystalline structures and DFT. However, in the case of forcefields and larger structures without symmetry, a single job doing everything might be preferrable. Saving all intermediate structure in any kind of database/file takes up more time than the actual computation and might require a massive amount of memory.

I think it would be nice to have such a job in atomate2 as the job could reuse many of the current implementions and functions.

Tagging @gpetretto , as we have recently discussed this in the context of jobflow-remote.

@utf: any comments?