Cleanup

examples/fei2_tutorial.jl

@@ -252,7 +252,7 @@ swt = SpinWaveTheory(sys_min);
 # provided $q$-points with given `density`.
 rv = reciprocal_vectors(cryst)
 points = [rv*p for p in [[0,0,0], [1,0,0], [0,1,0], [1/2,0,0], [0,1,0], [0,0,0]]]
-density = 600
+density = 50
 path, numbers = connected_path(points, density);
 xticks = (numbers, ["[0,0,0]", "[1,0,0]", "[0,1,0]", "[1/2,0,0]", "[0,1,0]", "[0,0,0]"])
 

src/SpinWaveTheory/SpinWaveTheory.jl

@@ -35,14 +35,13 @@ function Base.show(io::IO, ::MIME"text/plain", swt::SpinWaveTheory)
     # modename = swt.dipole_corrs ? "Dipole correlations" : "Custom correlations"
     modename = "Dipole correlations"
     printstyled(io, "SpinWaveTheory [$modename]\n"; bold=true, color=:underline)
-    println(io, "Atoms in magnetic supercell: $(length(swt.positions))")
+    println(io, "Atoms in magnetic supercell: $(natoms(swt.sys.crystal))")
 end
 
 function num_bands(swt::SpinWaveTheory)
     (; sys) = swt
-    Nm, Ns = length(sys.dipoles), sys.Ns[1] # number of magnetic atoms and dimension of Hilbert space
-    Nf = sys.mode == :SUN ? Ns-1 : 1
-    return Nf * Nm
+    nbosons = sys.mode == :SUN ? sys.Ns[1]-1 : 1
+    return nbosons * natoms(sys.crystal)
 end
 
 
@@ -160,33 +159,3 @@ function SpinWaveTheory(sys::System{N}; energy_ϵ::Float64=1e-8, energy_tol::Flo
     recipvecs = reciprocal_vectors(sys.crystal)
     return SpinWaveTheory(sys, s̃_mat, T̃_mat, Q̃_mat, c′_coef, R_mat, positions, recipvecs, energy_ϵ, energy_tol)
 end
-
-
-
-# """
-#     chemical_to_magnetic
-
-# Convert the components of a wavevector from the original Brillouin zone (of the chemical lattice) to the reduced Brillouin zone (BZ)
-# (of the magnetic lattice). \
-# This is necessary because components in the reduced BZ are good quantum numbers.
-# `K` is the reciprocal lattice vector, and `k̃` is the components of wavevector in the reduced BZ. Note `k = K + k̃`
-# """
-# function chemical_to_magnetic(swt::SpinWaveTheory, k)
-#     k = Vec3(k)
-#     α = swt.recipvecs_mag \ k
-#     k̃ = Vector{Float64}(undef, 3)
-#     K = Vector{Int}(undef, 3)
-#     for i = 1:3
-#         if abs(α[i]) < eps()
-#             K[i] = k̃[i] = 0.0
-#         else
-#             K[i] = Int(round(floor(α[i])))
-#             k̃[i] = α[i] - K[i]
-#         end
-#         @assert k̃[i] ≥ 0.0 && k̃[i] < 1.0
-#     end
-#     k_check = swt.recipvecs_mag * (K + k̃)
-#     @assert norm(k - k_check) < 1e-12
-
-#     return K, k̃
-# end