CONTCAR ELPH
The CONTCAR_ELPH file is an output file of a supercell calculation that contains the structural information of the primitive cell required for electron-phonon calculations using many-body perturbation theory.
| Mind: Available as of VASP 6.5.1 |
This file has the same format as the CONTCAR or POSCAR file.
It is typically generated alongside the phelel_params.hdf5 file by setting ELPH_POT_GENERATE = True.
The CONTCAR_ELPH file can be renamed and used as the POSCAR input for a subsequent electron-phonon calculation in the primitive cell, e.g. band-structure renormalization or transport coefficients including electron-phonon scattering.