ELPH SELFEN ENERGY WINDOW: Difference between revisions
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Revision as of 14:27, 22 October 2025
ELPH_SELFEN_ENERGY_WINDOW = [real, real]
Default: ELPH_SELFEN_ENERGY_WINDOW = 0.0 0.0
Description: Specifies the energy window (in eV) around the band edges within which the electron-phonon self-energy is computed.
| Mind: Available as of VASP 6.5.0 |
The self-energy is evaluated for electronic states with energies in the intervals:
- from VBM – a up to VBM, and
- from CBM up to CBM + b
where VBM is the valence band maximum and CBM is the conduction band minimum and ELPH_SELFEN_ENERGY_WINDOW = a b.