ELPH_SELFEN_ENERGY_WINDOW

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Revision as of 14:08, 16 October 2025 by Miranda.henrique (talk | contribs)

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.

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