using AtomsIO        # Use Julia-only IO parsers
using AtomsIOPython  # Use python-based IO parsers (e.g. ASE)
system = load_system("Fe_afm.pwi")

using DFTK
system = attach_psp(system, Fe="hgh/pbe/fe-q16.hgh")

model = model_LDA(system; temperature=0.01)
basis = PlaneWaveBasis(model; Ecut=10, kgrid=(2, 2, 2))
ρ0 = guess_density(basis, system)
scfres = self_consistent_field(basis, ρ=ρ0);

using WriteVTK
save_scfres("iron_afm.vts", scfres; save_ψ=true);

using JLD2
save_scfres("iron_afm.jld2", scfres);

rm("iron_afm.vts")
rm("iron_afm.jld2")