[QE-users] Help with Environ

[Sankha Mukherjee]

Hello all,



I am working on catalysis related projects using Environ. When running SCF and subsequently NSCF using Environ I have noticed a discrepancy between the values of the Fermi levels when introducing a dielectric constant >1. Considering the vacuum case, these Fermi energies are nearly identical however.



I was wondering how the permittivity of the medium could be causing this contrast, and if there is one of these values I can trust more than the other.



Thanks,

Sankha Mukherjee
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