ELPH_TRANSPORT_EMIN

From VASP Wiki
Revision as of 15:07, 18 December 2024 by Mani (talk | contribs) (Create page)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

ELPH_TRANSPORT_EMIN = [real] 

Description: Lower bound of the energy window in which states are considered for transport calculations.


In transport calculations, only a small amount of electronic states around the chemical potential have a sizeable contribution. Therefore, in order to improve performance, only states inside an energy window centered around the chemical potential are considered during the calculation. By default, the location and width of the energy window are determined automatically by VASP. By setting ELPH_TRANSPORT_EMIN and ELPH_TRANSPORT_EMAX, one can control the energy window manually.

Related tags and articles

ELPH_TRANSPORT_EMAX