Tweaks

examples/02_LSWT_CoRh2O4.jl

@@ -74,7 +74,7 @@ swt = SpinWaveTheory(sys_prim; measure=ssf_perp(sys_prim))
 # path that connects high-symmetry points in reciprocal space.
 
 qs = [[0, 0, 0], [1/2, 0, 0], [1/2, 1/2, 0], [0, 0, 0]]
-path = q_space_path(cryst, qs, 400)
+path = q_space_path(cryst, qs, 500)
 
 # Select [`lorentzian`](@ref) broadening with a full-width at half-maximum
 # (FWHM) of 0.8 meV. Use [`ssf_perp`](@ref) to calculate unpolarized scattering

examples/03_LLD_CoRh2O4.jl

@@ -138,7 +138,7 @@ qs = [[3/4, 3/4,   0],
       [1/4,   1, 1/4],
       [  0,   1,   0],
       [  0,  -4,   0]]
-qpts = q_space_path(cryst, qs, 1000)
+qpts = q_space_path(cryst, qs, 500)
 
 # Calculate ``I(𝐪, ω)`` intensities along this path and plot.
 

examples/07_Dipole_Dipole.jl

@@ -38,7 +38,7 @@ plot_spins(sys_prim; ghost_radius=8, color=[:red, :blue, :yellow, :purple])
 
 qs = [[0,0,0], [0,1,0], [1,1/2,0], [1/2,1/2,1/2], [3/4,3/4,0], [0,0,0]]
 labels = ["Γ", "X", "W", "L", "K", "Γ"]
-path = q_space_path(cryst, qs, 400; labels)
+path = q_space_path(cryst, qs, 500; labels)
 
 measure = ssf_trace(sys_prim)
 swt = SpinWaveTheory(sys_prim; measure)

examples/08_Momentum_Conventions.jl

@@ -66,7 +66,7 @@ for _ in 1:nsamples
     end
     add_sample!(sc, sys)
 end
-path = q_space_path(cryst, [[0,0,-1/2], [0,0,+1/2]], 300)
+path = q_space_path(cryst, [[0,0,-1/2], [0,0,+1/2]], 400)
 res1 = intensities(sc, path; energies=:available, kT)
 
 # Calculate the same quantity with linear spin wave theory at ``T = 0``. Because
@@ -76,7 +76,6 @@ res1 = intensities(sc, path; energies=:available, kT)
 sys_small = resize_supercell(sys, (1,1,1))
 minimize_energy!(sys_small)
 swt = SpinWaveTheory(sys_small; measure=ssf_trace(sys_small))
-path = q_space_path(cryst, [[0,0,-1/2], [0,0,+1/2]], 400)
 res2 = intensities_bands(swt, path)
 
 # This model system has a single magnon band with dispersion ``ϵ(𝐪) = 1 - D/B

examples/spinw_tutorials/SW13_LiNiPO4.jl

@@ -61,18 +61,19 @@ res = intensities_bands(swt, path)
 fig = Figure(size=(768, 300))
 plot_intensities!(fig[1, 1], res; units);
 
-# Plotting intensity curves for individual bands needs code customized to the
-# situation. Here we filter out zero intensity "ghost" modes by sorting the data
-# along dimension 1 (band energy) according to the condition "is intensity
-# nonzero". Call the [Makie `lines!`
+# There are two physical bands with nonvanishing intensity. To extract these
+# intensity curves, we must filter out the additional bands with zero intensity.
+# One way is to sort the data along dimension 1 (the band index) with the
+# comparison operator "is intensity less than ``10^{-12}``". Doing so moves the
+# physical bands to the end of the array axis. Call the [Makie `lines!`
 # function](https://docs.makie.org/stable/reference/plots/lines) to make a
 # custom plot.
 
-data_sorted = sort(res.data; dims=1, by=x->abs(x)>1e-12)
+data_sorted = sort(res.data; dims=1, by= >(1e-12))
 ax = Axis(fig[1, 2], xlabel="Momentum (r.l.u.)", ylabel="Intensity",
           xticks=res.qpts.xticks, xticklabelrotation=π/6)
-lines!(ax, data_sorted[4, :]; label="Band 2")
-lines!(ax, data_sorted[3, :]; label="Band 1")
+lines!(ax, data_sorted[end, :]; label="Lower band")
+lines!(ax, data_sorted[end-1, :]; label="Upper band")
 axislegend(ax)
 fig
 
@@ -87,7 +88,7 @@ plot_intensities!(fig[1, 1], res; units)
 data_sorted = sort(res.data; dims=1, by=x->abs(x)>1e-12)
 ax = Axis(fig[1, 2], xlabel="Momentum (r.l.u.)", ylabel="Intensity",
           xticks=res.qpts.xticks, xticklabelrotation=π/6)
-lines!(ax, data_sorted[4, :]; label="Band 2")
-lines!(ax, data_sorted[3, :]; label="Band 1")
+lines!(ax, data_sorted[end, :]; label="Lower band")
+lines!(ax, data_sorted[end-1, :]; label="Upper band")
 axislegend(ax)
 fig

examples/spinw_tutorials/SW18_Distorted_kagome.jl

@@ -77,7 +77,7 @@ energy_per_site(sys2) # < -0.7834 meV
 # Define a path in q-space
 
 qs = [[0,0,0], [1,0,0]]
-path = q_space_path(cryst, qs, 512)
+path = q_space_path(cryst, qs, 400)
 
 # Calculate intensities for the incommensurate spiral phase using
 # [`SpiralSpinWaveTheory`](@ref). It is necessary to provide the original `sys`,
@@ -93,7 +93,7 @@ plot_intensities(res; units)
 radii = range(0, 2, 100) # (1/Å)
 energies = range(0, 6, 200)
 kernel = gaussian(fwhm=0.05)
-res = powder_average(cryst, radii, 200) do qs
+res = powder_average(cryst, radii, 400) do qs
     intensities(swt, qs; energies, kernel)
 end
 plot_intensities(res; units)

examples/spinw_tutorials/SW19_Different_Ions.jl

@@ -39,7 +39,7 @@ plot_spins(sys)
 
 swt = SpinWaveTheory(sys; measure=ssf_perp(sys))
 qs = [[0,0,0], [1,0,0]]
-path = q_space_path(cryst, qs, 512)
+path = q_space_path(cryst, qs, 400)
 
 # Plot three types of pair correlation intensities