Phelel params.hdf5: Difference between revisions
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To generate the [[phelel_params.hdf5]] file, you can either use the [[Electron-phonon potential from supercells#VASP internal driver|VASP internal driver]] via {{TAGO|ELPH_POT_GENERATE|True}} or use VASP in combination with [https://github.com/phonopy/phelel phelel]. | To generate the [[phelel_params.hdf5]] file, you can either use the [[Electron-phonon potential from supercells#VASP internal driver|VASP internal driver]] via {{TAGO|ELPH_POT_GENERATE|True}} or use VASP in combination with [https://github.com/phonopy/phelel phelel]. | ||
== Related tags and articles == | |||
* {{TAG|ELPH_POT_GENERATE}} | |||
* {{TAG|ELPH_RUN}} | |||
* [[Electron-phonon potential from supercells]] | |||
[[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.