Phelel params.hdf5: Difference between revisions
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The [[phelel_params.hdf5]] is used to calculate electron-phonon interactions via {{TAGO|ELPH_RUN|True}}. | The [[phelel_params.hdf5]] is used to calculate electron-phonon interactions via {{TAGO|ELPH_RUN|True}}. | ||
Revision as of 14:21, 18 December 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.