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{\displaystyle \epsilon _{\mathrm {F} }=0.224} eV. (from OUTCAR file). Work function Φ = E v a c − ϵ F = 5.23 {\displaystyle \Phi =E^{\mathrm {vac} }-\epsilon _{\mathrm...

4} k-points: The dielectric function ϵ G , G ′ − 1 ( q ) {\displaystyle \epsilon _{\mathbf {G} ,\mathbf {G'} }^{-1}(\mathbf {q} )} is replaced by the local...

this example should look like the following: ϵ F = 1.65 {\displaystyle \epsilon _{\mathrm {F} }=1.65} eV (from OUTCAR file. Vacuum-potential at 8.24/6.77...

( H − ϵ n k ) ψ n k {\displaystyle \sum _{nk}w_{k}f_{nk}(\mathrm {H} -\epsilon _{nk})\psi _{nk}} rms(c) charge density residual vector...

#Turn model on HFSCREEN = 1.26 # Screening lenght AEXX = 0.088 #Inverse of epsilon_infinity SCISSOR = 0.69 # Difference GW-DFT band gap NBSEEIG = 10 # number...