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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,101 +1,100 @@ | ||
| energy,FWHM | ||
| -1.200000000000000000e+01,3.884550769806265902e-01 | ||
| -1.176363636363636367e+01,3.847646284311661002e-01 | ||
| -1.152727272727272734e+01,3.810941750527386263e-01 | ||
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| -1.010909090909090935e+01,3.594991077012260061e-01 | ||
| -9.872727272727273018e+00,3.559725502417814269e-01 | ||
| -9.636363636363636687e+00,3.524671414057417573e-01 | ||
| -9.400000000000000355e+00,3.489830372846186024e-01 | ||
| -9.163636363636364024e+00,3.455203968011869020e-01 | ||
| -8.927272727272727693e+00,3.420793817665371273e-01 | ||
| -8.690909090909091361e+00,3.386601569376094800e-01 | ||
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| -7.509090909090908816e+00,3.218968659070524096e-01 | ||
| -7.272727272727272485e+00,3.186120145115436397e-01 | ||
| -7.036363636363636154e+00,3.153501940024137640e-01 | ||
| -6.799999999999999822e+00,3.121115948059772216e-01 | ||
| -6.563636363636363491e+00,3.088964108198829495e-01 | ||
| -6.327272727272727160e+00,3.057048394703318350e-01 | ||
| -6.090909090909090828e+00,3.025370817685418268e-01 | ||
| -5.854545454545454497e+00,2.993933423662891724e-01 | ||
| -5.618181818181818166e+00,2.962738296103361590e-01 | ||
| -5.381818181818181834e+00,2.931787555955464586e-01 | ||
| -5.145454545454545503e+00,2.901083362164746382e-01 | ||
| -4.909090909090909172e+00,2.870627912172046270e-01 | ||
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| -2.072727272727272307e+00,2.525418821639681677e-01 | ||
| -1.836363636363635976e+00,2.498415273862375219e-01 | ||
| -1.599999999999999645e+00,2.471695490753591240e-01 | ||
| -1.363636363636363313e+00,2.445262286775893301e-01 | ||
| -1.127272727272726982e+00,2.419118518201872348e-01 | ||
| -8.909090909090906507e-01,2.393267082875668861e-01 | ||
| -6.545454545454543194e-01,2.367710919906181322e-01 | ||
| -4.181818181818179880e-01,2.342453009290843269e-01 | ||
| -1.818181818181816567e-01,2.317496371469566496e-01 | ||
| 5.454545454545467464e-02,2.292844066809287540e-01 | ||
| 2.909090909090910060e-01,2.268499195020675652e-01 | ||
| 5.272727272727273373e-01,2.244464894509774489e-01 | ||
| 7.636363636363636687e-01,2.220744341668924315e-01 | ||
| 1.000000000000000000e+00,2.197340750113090102e-01 | ||
| 1.236363636363636331e+00,2.174257369869850853e-01 | ||
| 1.472727272727272663e+00,2.151497486533868186e-01 | ||
| 1.709090909090908994e+00,2.129064420399527091e-01 | ||
| 1.945454545454545325e+00,2.106961525588990358e-01 | ||
| 2.181818181818181657e+00,2.085192189196897194e-01 | ||
| 2.418181818181817988e+00,2.063759830477707169e-01 | ||
| 2.654545454545454319e+00,2.042667900107226486e-01 | ||
| 2.890909090909090651e+00,2.021919879556315081e-01 | ||
| 3.127272727272726982e+00,2.001519280622368890e-01 | ||
| 3.363636363636363313e+00,1.981469645173010996e-01 | ||
| 3.599999999999999645e+00,1.961774545166901917e-01 | ||
| 3.836363636363635976e+00,1.942437583028741865e-01 | ||
| 4.072727272727274084e+00,1.923462392470070559e-01 | ||
| 4.309090909090908639e+00,1.904852639864533792e-01 | ||
| 4.545454545454546746e+00,1.886612026306612178e-01 | ||
| 4.781818181818181301e+00,1.868744290507169670e-01 | ||
| 5.018181818181819409e+00,1.851253212708243723e-01 | ||
| 5.254545454545453964e+00,1.834142619834801258e-01 | ||
| 5.490909090909092072e+00,1.817416392143940684e-01 | ||
| 5.727272727272726627e+00,1.801078471684454396e-01 | ||
| 5.963636363636364734e+00,1.785132872944253102e-01 | ||
| 6.199999999999999289e+00,1.769583696143515461e-01 | ||
| 6.436363636363637397e+00,1.754435143732244740e-01 | ||
| 6.672727272727271952e+00,1.739691540778499912e-01 | ||
| 6.909090909090910060e+00,1.725357360096891890e-01 | ||
| 7.145454545454544615e+00,1.711437253178016704e-01 | ||
| 7.381818181818182723e+00,1.697936088255649623e-01 | ||
| 7.618181818181817277e+00,1.684858997214427057e-01 | ||
| 7.854545454545455385e+00,1.672211433531894942e-01 | ||
| 8.090909090909089940e+00,1.659999244118375572e-01 | ||
| 8.327272727272728048e+00,1.648228758845263764e-01 | ||
| 8.563636363636362603e+00,1.636906902860091051e-01 | ||
| 8.800000000000000711e+00,1.626041338667778002e-01 | ||
| 9.036363636363635266e+00,1.615640647724932988e-01 | ||
| 9.272727272727273373e+00,1.605714565469987809e-01 | ||
| 9.509090909090907928e+00,1.596274290198285428e-01 | ||
| 9.745454545454546036e+00,1.587332896608834865e-01 | ||
| 9.981818181818180591e+00,1.578905902247304815e-01 | ||
| 1.021818181818181870e+01,1.571012065500062838e-01 | ||
| 1.045454545454545325e+01,1.563674550067292446e-01 | ||
| 1.069090909090909136e+01,1.556922702286202831e-01 | ||
| 1.092727272727272592e+01,1.550794928362530523e-01 | ||
| 1.116363636363636402e+01,1.545343741190182418e-01 | ||
| 1.139999999999999858e+01,1.540645699823800230e-01 | ||
| -1.200000000000000000e+01 3.884550769806265902e-01 | ||
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| -1.152727272727272734e+01 3.810941750527386263e-01 | ||
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| -9.872727272727273018e+00 3.559725502417814269e-01 | ||
| -9.636363636363636687e+00 3.524671414057417573e-01 | ||
| -9.400000000000000355e+00 3.489830372846186024e-01 | ||
| -9.163636363636364024e+00 3.455203968011869020e-01 | ||
| -8.927272727272727693e+00 3.420793817665371273e-01 | ||
| -8.690909090909091361e+00 3.386601569376094800e-01 | ||
| -8.454545454545455030e+00 3.352628900751356000e-01 | ||
| -8.218181818181818699e+00 3.318877520019172800e-01 | ||
| -7.981818181818181479e+00 3.285349166613583671e-01 | ||
| -7.745454545454545148e+00 3.252045611761556487e-01 | ||
| -7.509090909090908816e+00 3.218968659070524096e-01 | ||
| -7.272727272727272485e+00 3.186120145115436397e-01 | ||
| -7.036363636363636154e+00 3.153501940024137640e-01 | ||
| -6.799999999999999822e+00 3.121115948059772216e-01 | ||
| -6.563636363636363491e+00 3.088964108198829495e-01 | ||
| -6.327272727272727160e+00 3.057048394703318350e-01 | ||
| -6.090909090909090828e+00 3.025370817685418268e-01 | ||
| -5.854545454545454497e+00 2.993933423662891724e-01 | ||
| -5.618181818181818166e+00 2.962738296103361590e-01 | ||
| -5.381818181818181834e+00 2.931787555955464586e-01 | ||
| -5.145454545454545503e+00 2.901083362164746382e-01 | ||
| -4.909090909090909172e+00 2.870627912172046270e-01 | ||
| -4.672727272727272840e+00 2.840423442391962205e-01 | ||
| -4.436363636363636509e+00 2.810472228668910444e-01 | ||
| -4.200000000000000178e+00 2.780776586708087472e-01 | ||
| -3.963636363636362958e+00 2.751338872478595321e-01 | ||
| -3.727272727272726627e+00 2.722161482585833681e-01 | ||
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| -3.018181818181817633e+00 2.636215841377326230e-01 | ||
| -2.781818181818181301e+00 2.608104538669123174e-01 | ||
| -2.545454545454544970e+00 2.580266163366758403e-01 | ||
| -2.309090909090908639e+00 2.552703361604879984e-01 | ||
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| -1.836363636363635976e+00 2.498415273862375219e-01 | ||
| -1.599999999999999645e+00 2.471695490753591240e-01 | ||
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| -1.127272727272726982e+00 2.419118518201872348e-01 | ||
| -8.909090909090906507e-01 2.393267082875668861e-01 | ||
| -6.545454545454543194e-01 2.367710919906181322e-01 | ||
| -4.181818181818179880e-01 2.342453009290843269e-01 | ||
| -1.818181818181816567e-01 2.317496371469566496e-01 | ||
| 5.454545454545467464e-02 2.292844066809287540e-01 | ||
| 2.909090909090910060e-01 2.268499195020675652e-01 | ||
| 5.272727272727273373e-01 2.244464894509774489e-01 | ||
| 7.636363636363636687e-01 2.220744341668924315e-01 | ||
| 1.000000000000000000e+00 2.197340750113090102e-01 | ||
| 1.236363636363636331e+00 2.174257369869850853e-01 | ||
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| 1.709090909090908994e+00 2.129064420399527091e-01 | ||
| 1.945454545454545325e+00 2.106961525588990358e-01 | ||
| 2.181818181818181657e+00 2.085192189196897194e-01 | ||
| 2.418181818181817988e+00 2.063759830477707169e-01 | ||
| 2.654545454545454319e+00 2.042667900107226486e-01 | ||
| 2.890909090909090651e+00 2.021919879556315081e-01 | ||
| 3.127272727272726982e+00 2.001519280622368890e-01 | ||
| 3.363636363636363313e+00 1.981469645173010996e-01 | ||
| 3.599999999999999645e+00 1.961774545166901917e-01 | ||
| 3.836363636363635976e+00 1.942437583028741865e-01 | ||
| 4.072727272727274084e+00 1.923462392470070559e-01 | ||
| 4.309090909090908639e+00 1.904852639864533792e-01 | ||
| 4.545454545454546746e+00 1.886612026306612178e-01 | ||
| 4.781818181818181301e+00 1.868744290507169670e-01 | ||
| 5.018181818181819409e+00 1.851253212708243723e-01 | ||
| 5.254545454545453964e+00 1.834142619834801258e-01 | ||
| 5.490909090909092072e+00 1.817416392143940684e-01 | ||
| 5.727272727272726627e+00 1.801078471684454396e-01 | ||
| 5.963636363636364734e+00 1.785132872944253102e-01 | ||
| 6.199999999999999289e+00 1.769583696143515461e-01 | ||
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| 6.909090909090910060e+00 1.725357360096891890e-01 | ||
| 7.145454545454544615e+00 1.711437253178016704e-01 | ||
| 7.381818181818182723e+00 1.697936088255649623e-01 | ||
| 7.618181818181817277e+00 1.684858997214427057e-01 | ||
| 7.854545454545455385e+00 1.672211433531894942e-01 | ||
| 8.090909090909089940e+00 1.659999244118375572e-01 | ||
| 8.327272727272728048e+00 1.648228758845263764e-01 | ||
| 8.563636363636362603e+00 1.636906902860091051e-01 | ||
| 8.800000000000000711e+00 1.626041338667778002e-01 | ||
| 9.036363636363635266e+00 1.615640647724932988e-01 | ||
| 9.272727272727273373e+00 1.605714565469987809e-01 | ||
| 9.509090909090907928e+00 1.596274290198285428e-01 | ||
| 9.745454545454546036e+00 1.587332896608834865e-01 | ||
| 9.981818181818180591e+00 1.578905902247304815e-01 | ||
| 1.021818181818181870e+01 1.571012065500062838e-01 | ||
| 1.045454545454545325e+01 1.563674550067292446e-01 | ||
| 1.069090909090909136e+01 1.556922702286202831e-01 | ||
| 1.092727272727272592e+01 1.550794928362530523e-01 | ||
| 1.116363636363636402e+01 1.545343741190182418e-01 | ||
| 1.139999999999999858e+01 1.540645699823800230e-01 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,73 @@ | ||
| using DrWatson | ||
| @quickactivate "FiniteTemperatureFeI2" | ||
|
|
||
| using Sunny, GLMakie | ||
| include(srcdir("instrument_corrections.jl")) | ||
|
|
||
| # Load the data calculated in the previous script. | ||
| data_renormalized = load(datadir("dssf", "renormalized.jld2")) | ||
| data_unrenormalized = load(datadir("dssf", "unrenormalized.jld2")) | ||
|
|
||
| # Define a path through reciprocal space. | ||
| cryst = data_renormalized["cryst"] | ||
| points = [[0, 0, 0], # List of wave vectors that define a path | ||
| [1, 0, 0], | ||
| [0, 1, 0], | ||
| [1/2, 0, 0], | ||
| [0, 1, 0], | ||
| [0, 0, 0]] | ||
| density = 60 | ||
| path, xticks = reciprocal_space_path(cryst, points, density) | ||
|
|
||
| # Set up figure for spaghetti plots | ||
| fig = Figure() | ||
| ax1 = Axis(fig[1,1]; xticks, xlabel = "[H,K,L]", ylabel="Energy (meV)", title="Unrenormalized") | ||
| ax2 = Axis(fig[1,2]; xticks, xlabel = "[H,K,L]", ylabel="Energy (meV)", title="Renormalized") | ||
|
|
||
| # Plot unrenormalized results | ||
| sc = data_unrenormalized["sc"] | ||
| energies = available_energies(sc) | ||
| formula = intensity_formula(sc, :perp; kT=kT_meV, formfactors = [FormFactor("Fe2"; g_lande=3/2)]) | ||
|
|
||
| is = intensities_interpolated(sc, path, formula) | ||
| is = convolve_sequoia(is, energies) # Add instrumental broadening | ||
| heatmap!(ax1, 1:size(is, 1), energies, is; colorrange=(0.0, 0.5)) | ||
|
|
||
| # Plot renormalized results | ||
| sc_rn = data_renormalized["sc"] | ||
|
|
||
| is = intensities_interpolated(sc_rn, path, formula) | ||
| is = convolve_sequoia(is, energies) # Add instrumental broadening | ||
| heatmap!(ax2, 1:size(is, 1), energies, is; colorrange=(0.0, 0.5)) | ||
| fig | ||
|
|
||
|
|
||
| # Calculate intensities an individual wave vectors and broaden | ||
| qs = [[1/2, 0, 0], [3/4, 0, 0], [1, 0, 0]] | ||
| σ = σ_from_FWHM(0.47) | ||
| gauss(x, x₀) = 1/(σ*√2π)*exp(-(x-x₀)^2 / (2σ^2)) | ||
|
|
||
| cuts = intensities_interpolated(sc, qs, formula) | ||
| cuts = broaden_energy(sc, cuts, gauss) | ||
|
|
||
| cuts_rn = intensities_interpolated(sc_rn, qs, formula) | ||
| cuts_rn = broaden_energy(sc, cuts_rn, gauss) | ||
|
|
||
| # Plot comparisons at individual wave vectors | ||
| fig = Figure() | ||
|
|
||
| ax1 = Axis(fig[1,1]; ylabel = "Intensity (a.u.)", xlabel = "Energy (meV)", title="Q=(1/2, 0, 0)") | ||
| ax2 = Axis(fig[1,2]; xlabel = "Energy (meV)", title="Q=(3/4, 0, 0)") | ||
| ax3 = Axis(fig[1,3]; xlabel = "Energy (meV)", title="Q=(1, 0, 0)") | ||
| color = :blue | ||
|
|
||
| lines!(ax1, energies, cuts[1,:]; linestyle=:dash, color) | ||
| lines!(ax1, energies, cuts_rn[1,:]; color) | ||
| lines!(ax2, energies, cuts[2,:]; linestyle=:dash, color) | ||
| lines!(ax2, energies, cuts_rn[2,:]; color) | ||
| ln = lines!(ax3, energies, cuts[3,:]; linestyle=:dash, color) | ||
| ln_rn = lines!(ax3, energies, cuts_rn[3,:]; color) | ||
|
|
||
| Legend(fig[1,4], [ln, ln_rn], ["Unrenromalized", "Renormalized"]) | ||
|
|
||
| fig |
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