ELPH_LR
ELPH_LR = [integer]
Default: ELPH_LR = 1
Description: Controls the treatment of the long-range part of the electron-phonon potential.
This tag controls the treatment of the long-range electrostatic contributions to the electron-phonon coupling arising in polar dielectric materials.
| Mind: In this case, the required Born effective charges and dielectric tensor are read from the phelel_params.hdf5 file. |
Modes
ELPH_LR ≤ 0- No long-range correction scheme is applied to the electron-phonon coupling. This is most likely very inaccurate for semiconductors and insulators with non-vanishing Born effective charge.
ELPH_LR = 1- Dipole corrections are applied to the electron-phonon coupling[1].