ELPH SELFEN ENERGY WINDOW: Difference between revisions
No edit summary |
|||
| Line 15: | Line 15: | ||
==Related tags and articles== | ==Related tags and articles== | ||
{{TAG|ELPH_RUN}}, | * {{TAG|ELPH_RUN}}, | ||
{{TAG|ELPH_TRANSPORT}}, | * {{TAG|ELPH_TRANSPORT}}, | ||
{{TAG|ELPH_SCATTERING_APPROX}}, | * {{TAG|ELPH_SCATTERING_APPROX}}, | ||
{{TAG|ELPH_SELFEN_IMAG_SKIP}} | * {{TAG|ELPH_SELFEN_IMAG_SKIP}} | ||
<!--[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]--> | <!--[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]--> | ||
Revision as of 14:05, 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.