Phelel params.hdf5: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ELPH_POT_GENERATE}} | * {{TAG|ELPH_POT_GENERATE}} | ||
{{TAG|ELPH_RUN}} | * {{TAG|ELPH_RUN}} | ||
[[Electron-phonon potential from supercells]] | * [[Electron-phonon potential from supercells]] | ||
[[Category:Files]][[Category:Input files]][[Category:Output files]] | [[Category:Files]][[Category:Input files]][[Category:Output files]][[Category:Electron-phonon interactions]] | ||
Latest revision as of 10:08, 22 January 2025
The phelel_params.hdf5 file 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 ELPH_POT_GENERATE = True or use VASP in combination with phelel.