diff --git a/src/functionals/lda.jl b/src/functionals/lda.jl index 04a4632..f5de403 100644 --- a/src/functionals/lda.jl +++ b/src/functionals/lda.jl @@ -83,7 +83,7 @@ function energy_per_particle_c_pw(ρ::T; A, α₁, β₁, β₂, β₃, β₄, f end # equation (9) - f(ζ) = ((1 + ζ)^(4 / T(3)) + (1 - ζ)^(4 / T(3)) - 2) / (2^(4 / T(3)) - 2) # == 0 for non-spin-polarised + f(ζ) = ((1 + ζ)^(4 / T(3)) + (1 - ζ)^(4 / T(3)) - 2) / (T(2)^(4 / T(3)) - 2) # == 0 for non-spin-polarised ε_0(rₛ) = G(sqrt(rₛ), A[1], α₁[1], β₁[1], β₂[1], β₃[1], β₄[1]) # ε_c(rₛ, 0) ε_1(rₛ) = G(sqrt(rₛ), A[2], α₁[2], β₁[2], β₂[2], β₃[2], β₄[2]) # ε_c(rₛ, 1)