ELPH_LR

ELPH_LR = [integer]
Default: ELPH_LR = 1 

Description: Controls the treatment of the long-range part of the electron-phonon potential.

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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.