Correctly scale output from phonopy jobs in QuasiHarmonic #1196
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This issue pops up if you run QuasiHarmonic/Phonopy with an interactive Lammps reference job. If you then call
optimize_volume
with the energies from a murnaghan with the same structure that you provided to the QuasiHarmonicJob the optimization will fail, because the free energies from phonopy might be for a larger supercell. I don't know if the issue also exists with other combinations of run modes. I'm also not sure if the heat capacities need to be rescaled or if phonopy already outputs a size normalized value.