ELPH_SELFEN_DW

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ELPH_SELFEN_DW = .TRUE. | .FALSE.
Default: ELPH_SELFEN_DW = .FALSE. 

Description: Controls whether the Debye-Waller contribution is included in the calculation of the phonon-induced electron self-energy.


The phonon-induced electron self-energy has two contributions at second order in perturbation theory, the Fan-Migdal self-energy and the real-valued Debye-Waller self-energy. ELPH_SELFEN_DW controls the computation of the latter, while the former can be computed via ELPH_SELFEN_FAN.

The result is reported individually for each self-energy accumulator in the vaspout.h5 file as

/results/electron_phonon/electrons/self_energy_1/selfen_dw
Mind: The Debye-Waller self-energy is computed using the rigid-ion approximation[1].

References