Bug fix (changed ifft into irfft in transfer_density)

JuliaMolSim · Sep 11, 2023 · 16ec9b5 · 16ec9b5
1 parent b507ee7
commit 16ec9b5
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/transfer.jl b/src/transfer.jl
@@ -173,7 +173,7 @@ function transfer_density(ρ_in, basis_in::PlaneWaveBasis{T},
         ρ_freq_out[block_out,:] .= ρ_freq_in[block_in,:]
     end
 
-    ρ_real_out = ifft(basis_out, ρ_freq_out)
+    ρ_real_out = irfft(basis_out, ρ_freq_out)
 end
 
 """