ELPH LR: Difference between revisions
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{{TAGDEF|ELPH_LR|[integer]|1}} | {{TAGDEF|ELPH_LR|[integer]|1}} | ||
Revision as of 14:29, 18 December 2024
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].