ELPH SELFEN ENERGY WINDOW: Difference between revisions
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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 around the valence band minimum (VBM) and the conduction band minimum (CDM), with an energy window defined with {{TAG|ELPH_SELFEN_ENERGY_WINDOW|''a'' ''b''}}: | ||
* from VBM – | * from VBM – ''a'' up to VBM, and | ||
* from CBM up to CBM + | * from CBM up to CBM + ''b'' | ||
==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]] | |||
Latest revision as of 08:12, 24 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 around the valence band minimum (VBM) and the conduction band minimum (CDM), with an energy window defined with ELPH_SELFEN_ENERGY_WINDOW = a b:
- from VBM – a up to VBM, and
- from CBM up to CBM + b