ELPH SELFEN ENERGY WINDOW: Difference between revisions
(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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The self-energy is evaluated for electronic states with energies in the intervals: | The self-energy is evaluated for electronic states with energies in the intervals: | ||
* from | * from VBM – ELPH_SELFEN_ENERGY_WINDOW(1) up to VBM, and | ||
* from | * from CBM up to CBM + ELPH_SELFEN_ENERGY_WINDOW(2), | ||
where | where VBM is the valence band maximum and CBM is the conduction band minimum. | ||
==Related tags and articles== | ==Related tags and articles== | ||
Revision as of 13:45, 16 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 – 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