Phelel params.hdf5: Difference between revisions
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Revision as of 09:53, 30 September 2024
The phelel_params.hdf5 is used to calculate electron-phonon interactions via ELPH_RUN = True.
It contains information related to the interatomic force constants and the derivative of the Kohn-Sham potential.
To generate the phelel_params.hdf5 file, you can either use the VASP internal driver via PHELEL_WRITE = True or use VASP in combination with phelel.