phelel_params.hdf5

From VASP Wiki
Revision as of 14:38, 18 December 2024 by Mani (talk | contribs) (Add categories and related links)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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.

Related tags and articles

ELPH_POT_GENERATE, ELPH_RUN, Electron-phonon potential from supercells

Retrieved from "https://www.vasp.at/wiki/index.php?title=Phelel_params.hdf5&oldid=27672"