ELPH_SELFEN_ENERGY_WINDOW

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Revision as of 13:41, 16 October 2025 by Miranda.henrique (talk | contribs) (Created page with "{{DISPLAYTITLE:ELPH_SELFEN_ENERGY_WINDOW}} {{TAGDEF|ELPH_SELFEN_ENERGY_WINDOW|[real, real]| 0.0 0.0}} Description: Specifies the energy window (in eV) around the band edges within which the electron-phonon self-energy is computed. {{Available|6.5.0}} ---- The self-energy is evaluated for electronic states with energies in the intervals: * from **VBM – ELPH_SELFEN_ENERGY_WINDOW(1)** up to **VBM**, and * from **CBM** up to **CBM + ELPH_SELFEN_ENERGY_WINDOW(2)*...")
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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 – ELPH_SELFEN_ENERGY_WINDOW(1)** up to **VBM**, and
  • from **CBM** up to **CBM + ELPH_SELFEN_ENERGY_WINDOW(2)**,

where **VBM** is the valence band maximum and **CBM** is the conduction band minimum.

Related tags and articles

ELPH_RUN, ELPH_TRANSPORT, ELPH_SCATTERING_APPROX, ELPH_SELFEN_IMAG_SKIP


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