single component for direct minimisation

src/scf/direct_minimization.jl

@@ -76,13 +76,16 @@ function direct_minimization(basis::PlaneWaveBasis{T}, ψ0;
     model = basis.model
     @assert iszero(model.temperature)  # temperature is not yet supported
     @assert isnothing(model.εF)        # neither are computations with fixed Fermi level
+    @assert model.n_components == 1    # neither are multicomponents
     filled_occ = filled_occupation(model)
     n_spin = model.n_spin_components
     n_bands = div(model.n_electrons, n_spin * filled_occ, RoundUp)
     Nk = length(basis.kpoints)
 
     if ψ0 === nothing
-        ψ0 = [random_orbitals(basis, kpt, n_bands) for kpt in basis.kpoints]
+        ψ0_rand = [random_orbitals(basis, kpt, n_bands) for kpt in basis.kpoints]
+        Tψ = eltype(eltype(eltype(ψ0_rand)))
+        ψ0 = [reinterpret(reshape, Tψ, ψ0k_rand) for ψ0k_rand in ψ0_rand]
     end
     occupation = [filled_occ * ones(T, n_bands) for ik = 1:Nk]