Thermodynamical data conversion issue
I noticed that the thermodynamical data at
workflow.thermodynamics as produced by
phonopy does not match the data reported under
run.calculation.thermodynamics. This is probably some kind of a small unit conversion issue. E.g. temperatures differ by a magnitude of 1000, and the data at
run.calculation.thermodynamics seems to be the correct one. This conversion issue applies also for
Can you @alvin take a look at some point, or just tell me if you want me to apply the fix.