transfert. Horrible

JuliaMolSim · Apr 21, 2023 · 68289be · 68289be
1 parent eaa099d
commit 68289be
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/src/transfer.jl b/src/transfer.jl
@@ -65,13 +65,13 @@ Transfer an array `ψk` defined on basis_in ``k``-point kpt_in to basis_out ``k`
 function transfer_blochwave_kpt(ψk_in, basis_in::PlaneWaveBasis{T}, kpt_in::Kpoint,
                                 basis_out::PlaneWaveBasis{T}, kpt_out::Kpoint) where {T}
     kpt_in == kpt_out && return copy(ψk_in)
-    @assert kpt_in.n_dof == prod(size(ψk_in, 1:2))
+    @assert kpt_in.n_dof == prod(size(ψk_in)[1:2])
     idcsk_in, idcsk_out = transfer_mapping(basis_in, kpt_in, basis_out, kpt_out)
 
     n_bands = size(ψk_in, 3)
-    ψk_out  = similar(ψk_in, length(G_vectors(basis_out, kpt_out)), n_bands)
+    ψk_out  = similar(ψk_in, basis_out.model.n_components, length(G_vectors(basis_out, kpt_out)), n_bands)
     ψk_out .= 0
-    ψk_out[idcsk_out, :] .= ψk_in[idcsk_in, :]
+    ψk_out[:, idcsk_out, :] .= ψk_in[:, idcsk_in, :]
 
     ψk_out
 end

diff --git a/test/transfer.jl b/test/transfer.jl
@@ -27,9 +27,9 @@ include("testcases.jl")
 
     T    = compute_transfer_matrix(basis, bigger_basis)  # transfer
     Tᵇ   = compute_transfer_matrix(bigger_basis, basis)  # back-transfer
-    Tψ   = [Tk * ψk   for (Tk, ψk)   in zip(T, ψ)]
+    Tψ   = [Tk * ψk[1, :, :]   for (Tk, ψk)   in zip(T, ψ)]
     TᵇTψ = [Tᵇk * Tψk for (Tᵇk, Tψk) in zip(Tᵇ, Tψ)]
-    @test norm(ψ - TᵇTψ) < eps(eltype(basis))
+    @test norm([ψk[1, :, :] for ψk in ψ] - TᵇTψ) < eps(eltype(basis))
 
     # TᵇT should be the identity and TTᵇ should be a projection
     TᵇT = [Tᵇk * Tk  for (Tk, Tᵇk) in zip(T, Tᵇ)]