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phonon_static_energy_maker is not required in the phonon workflow. We could set it to None by default. Only when free energies plus total DFT energies are compared, the phonon_static_energy_maker might be useful.
Addtionally, there are two optimization steps if rattled and single-displaced data generation is switched on. This might be combined in cases when both options are used.
The text was updated successfully, but these errors were encountered:
phonon_static_energy_maker
is not required in the phonon workflow. We could set it to None by default. Only when free energies plus total DFT energies are compared, thephonon_static_energy_maker
might be useful.Addtionally, there are two optimization steps if rattled and single-displaced data generation is switched on. This might be combined in cases when both options are used.
The text was updated successfully, but these errors were encountered: