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JuliaMolSim · Dec 23, 2024 · 6ee21d7 · 6ee21d7
1 parent ff9998e
commit 6ee21d7
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/src/scf/mixing.jl b/src/scf/mixing.jl
@@ -267,6 +267,10 @@ end
             apply_term!(δρ, δF)  # δρ .+= χ₀ * δF
         end
         δρ .-= mean(δρ)
+
+        # Maybe needed ??
+        δρ = symmetrize_ρ(basis, δρ; do_lowpass=true)
+
         εδF = δF .- apply_kernel(basis, δρ; ρ=ρin, RPA=mixing.RPA)
         εδF .-= mean(εδF)
         vec(εδF)