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2.9704432842E-01 + 0.0000000000E+00 2.2516549427E+00 8.8342754304E+00 1.9239707885E+01 3.2636831062E+01 4.7884722342E+01 6.3534974655E+01 7.7788755350E+01 8.8288433158E+01 9.1063122991E+01 5.0355751011E+01 3.2536166726E+01 2.6864474407E+01 2.3672995423E+01 2.1512858727E+01 1.9889460735E+01 1.8580822923E+01 1.7471182231E+01 1.6494094650E+01 1.5608837690E+01 1.4789276722E+01 1.4018097180E+01 1.3283594660E+01 1.2577783290E+01 1.1895226821E+01 1.1232286361E+01 1.0586618508E+01 9.9568293936E+00 9.3422287848E+00 8.7426501682E+00 8.1583154257E+00 7.5897303734E+00 7.0376021757E+00 6.5027726598E+00 5.9861635065E+00 5.4887305850E+00 5.0114255571E+00 4.5551634587E+00 4.1207953597E+00 3.7090854716E+00 3.3206922469E+00 2.9561531366E+00 2.6158727412E+00 2.3001141406E+00 2.0089932043E+00 1.7424756997E+00 1.5003770068E+00 1.2823642497E+00 1.0879606371E+00 9.1655179910E-01 7.6739389519E-01 6.3962325826E-01 5.3226733698E-01 4.4425669315E-01 3.7443781276E-01 3.2158649311E-01 2.8442157602E-01 2.6161880795E-01 2.5182462159E-01 2.5366964959E-01 2.6578179957E-01 2.8679873936E-01 3.1537966219E-01 3.5021622327E-01 3.9004256048E-01 4.3364433296E-01 4.7986673187E-01 5.2762143628E-01 5.7589250501E-01 6.2374121088E-01 6.7030983781E-01 7.1482447311E-01 7.5659683746E-01 7.9502520261E-01 8.2959445330E-01 8.5987535398E-01 8.8552308355E-01 9.0627510274E-01 9.2194841881E-01 9.3243631125E-01 9.3770458075E-01 9.3778738132E-01 9.3278269316E-01 9.2284749102E-01 9.0819266047E-01 8.8907771157E-01 8.6580533749E-01 8.3871586332E-01 8.0818162873E-01 7.7460134654E-01 7.3839447822E-01 6.9999566613E-01 6.5984926170E-01 6.1840398782E-01 5.7610777297E-01 5.3340279358E-01 4.9072076025E-01 4.4847848170E-01 4.0707373891E-01 3.6688149953E-01 diff --git a/Examples/IsGISAXS_examples/ex-8/paracrystal.inp b/Examples/IsGISAXS_examples/ex-8/paracrystal.inp new file mode 100755 index 0000000000000000000000000000000000000000..b94ccc40812f20b63314f785b9776b3fcef54888 --- /dev/null +++ b/Examples/IsGISAXS_examples/ex-8/paracrystal.inp @@ -0,0 +1,74 @@ +########################################## +# GISAXS SIMULATIONS : INPUT PARAMETERS +########################################### + +# Base filename +isgi_2DDL_lattice +############################ Framework and beam parameters ############################################ +# Framework Diffuse, Multilayer, Number of index slices, Polarization + DWBA LMA 0 25 ss +# Beam Wavelenght : Lambda(nm), Wl_distribution, Sigma_Wl/Wl, Wl_min(nm), Wl_max(nm), nWl, xWl + 0.1 none 0.3 0.08 0.12 20 3 +# Beam Alpha_i : Alpha_i(deg), Ai_distribution, Sigma_Ai(deg), Ai_min(deg), Ai_max(deg), nAi, xAi + 0.2 none 0.1 0.15 0.25 30 2 +# Beam 2Theta_i : 2Theta_i(deg), Ti_distribution, Sigma_Ti(deg), Ti_min(deg), Ti_max(deg), nTi, XTi + 0 none 0.5 -0.5 0.5 10 2 +# Substrate : n-delta_S, n-beta_S, Layer thickness(nm), n-delta_L, n-beta_L, RMS roughness(nm) + 6.E-06 2.e-8 0. 1.E-05 5.E-07 0. +# Particle : n-delta_I, n-beta_I, Depth(nm), n-delta_SH, n-beta_SH + 6.E-04 2.e-8 0 8.E-04 2.e-8 +################################# Grid parameters ###################################################### +# Ewald mode + T +# Output angle (deg) : Two theta min-max, Alphaf min-max, n(1), n(2) + 0. 2 0. 2 100 100 +# Output q(nm-1) : Qx min-max, Qy min-max, Qz min-max, n(1), n(2), n(3) + -1 1 -1 1 -2 0 200 200 1 +################################## Particle parameters ################################################# +# Number of different particle types +1 +# Particle type, Probability +cylinder 1 +# Geometrical parameters : Base angle (deg), Height ratio, Flattening, FS-radii/R + 54.73 1. 1. 0.8 0.8 +# Shell thicknesses (nm) : dR, dH, dW + 0 0 0 +# H_uncoupled, W_uncoupled + T T +# Size of particle : Radius(nm), R_distribution, SigmaR/R, Rmin(nm), Rmax(nm), nR, xR + 5 none 0.01 0.1 11 100 4 +# Height aspect ratio : Height/R, H_distribution, SigmaH/H, Hmin/R, Hmax/R, nH, xH, rho_H + 1 none 0.1 0.1 11 25 2 0 +# Width aspect ratio : Width/R, W_distribution, SigmaW/W, Wmin/R, Wmax/R, nW, xW, rho_W + 2 none 0.4 1 300 15 2 0 +# Orientation of particle : Zeta(deg), Z_distribution, SigmaZ(deg), Zmin(deg), Zmax(deg), nZ, xZ + 0 none 20. 0 120 30 2 +##################################### Lattice parameters ################################################# +# Lattice type + 2DDL_lattice +# Interference function : Peak position D(nm), w(nm), Statistics, Eta_Voigt, Size-Distance coupling, Cut-off + 20 7 gau 0.5 0 10000000 +# Pair correlation function : Density(nm-2), D1(nm), Hard core coverage, CxR + 0.007 25 0.3 1. +# Lattice parameters : L(1)(nm), L(2)(nm), Angle(deg, Xi_fixed + 10 10 90. F + Xi(deg), Xi_distribution, SigmaXi(deg), Ximin(deg), Ximax(deg), nXi, xXi + 0 none 20 0. 240. 3 -2 + Domain sizes DL(nm), DL_distribution, SigmaDL/DL, DLmin(nm), DLmax(nm), nDL, XDL + 20000 20000 none 0.2 0.2 200 200 10000 10000 10 10 -2 -2 +# Imperfect lattice : Rod description, Rod shape, + rec_ellip cau cau + Correlation lenghts(nm), Rod orientation(deg) + 300 100 0 90 +# Paracrystal : Probability description + ellip + Disorder factors w(nm), DL-statistical distribution and rod orientation (deg) + 0.5 2 2 0.5 + cau cau cau cau + 0 90 0 90 +# Pattern : Regular pattern content, Number of particles per pattern + F 1 + Positions xp/L, Debye-Waller factors B11/L1 B22/L1 B12/L1 + 0. 0. 0. 0. 0. + 0.5 0.5 0. 0. 0. + diff --git a/Examples/IsGISAXS_examples/ex-8/paracrystal_cut.inp b/Examples/IsGISAXS_examples/ex-8/paracrystal_cut.inp new file mode 100755 index 0000000000000000000000000000000000000000..16013fae1ea60753c4729fb8f7e73ae26aa4ed14 --- /dev/null +++ b/Examples/IsGISAXS_examples/ex-8/paracrystal_cut.inp @@ -0,0 +1,74 @@ +########################################## +# GISAXS SIMULATIONS : INPUT PARAMETERS +########################################### + +# Base filename +paracrystal_cut +############################ Framework and beam parameters ############################################ +# Framework Diffuse, Multilayer, Number of index slices, Polarization + DWBA LMA 0 25 ss +# Beam Wavelenght : Lambda(nm), Wl_distribution, Sigma_Wl/Wl, Wl_min(nm), Wl_max(nm), nWl, xWl + 0.1 none 0.3 0.08 0.12 20 3 +# Beam Alpha_i : Alpha_i(deg), Ai_distribution, Sigma_Ai(deg), Ai_min(deg), Ai_max(deg), nAi, xAi + 0.2 none 0.1 0.15 0.25 30 2 +# Beam 2Theta_i : 2Theta_i(deg), Ti_distribution, Sigma_Ti(deg), Ti_min(deg), Ti_max(deg), nTi, XTi + 0 none 0.5 -0.5 0.5 10 2 +# Substrate : n-delta_S, n-beta_S, Layer thickness(nm), n-delta_L, n-beta_L, RMS roughness(nm) + 6.E-06 2.e-8 0. 1.E-05 5.E-07 0. +# Particle : n-delta_I, n-beta_I, Depth(nm), n-delta_SH, n-beta_SH + 6.E-04 2.e-8 0 8.E-04 2.e-8 +################################# Grid parameters ###################################################### +# Ewald mode + T +# Output angle (deg) : Two theta min-max, Alphaf min-max, n(1), n(2) + 0.1 2.1 0 0.2 300 1 +# Output q(nm-1) : Qx min-max, Qy min-max, Qz min-max, n(1), n(2), n(3) + -1 1 -1 1 -2 0 200 200 1 +################################## Particle parameters ################################################# +# Number of different particle types +1 +# Particle type, Probability +cylinder 1 +# Geometrical parameters : Base angle (deg), Height ratio, Flattening, FS-radii/R + 54.73 1. 1. 0.8 0.8 +# Shell thicknesses (nm) : dR, dH, dW + 0 0 0 +# H_uncoupled, W_uncoupled + T T +# Size of particle : Radius(nm), R_distribution, SigmaR/R, Rmin(nm), Rmax(nm), nR, xR + 5 none 0.01 0.1 11 100 4 +# Height aspect ratio : Height/R, H_distribution, SigmaH/H, Hmin/R, Hmax/R, nH, xH, rho_H + 1 none 0.1 0.1 11 25 2 0 +# Width aspect ratio : Width/R, W_distribution, SigmaW/W, Wmin/R, Wmax/R, nW, xW, rho_W + 2 none 0.4 1 300 15 2 0 +# Orientation of particle : Zeta(deg), Z_distribution, SigmaZ(deg), Zmin(deg), Zmax(deg), nZ, xZ + 0 none 20. 0 120 30 2 +##################################### Lattice parameters ################################################# +# Lattice type + 2DDL_lattice +# Interference function : Peak position D(nm), w(nm), Statistics, Eta_Voigt, Size-Distance coupling, Cut-off + 20 7 gau 0.5 0 10000000 +# Pair correlation function : Density(nm-2), D1(nm), Hard core coverage, CxR + 0.007 25 0.3 1. +# Lattice parameters : L(1)(nm), L(2)(nm), Angle(deg, Xi_fixed + 10 10 90. F + Xi(deg), Xi_distribution, SigmaXi(deg), Ximin(deg), Ximax(deg), nXi, xXi + 0 none 20 0. 240. 3 -2 + Domain sizes DL(nm), DL_distribution, SigmaDL/DL, DLmin(nm), DLmax(nm), nDL, XDL + 20000 20000 none 0.2 0.2 200 200 10000 10000 10 10 -2 -2 +# Imperfect lattice : Rod description, Rod shape, + rec_ellip cau cau + Correlation lenghts(nm), Rod orientation(deg) + 300 100 0 90 +# Paracrystal : Probability description + ellip + Disorder factors w(nm), DL-statistical distribution and rod orientation (deg) + 0.5 0.5 0.5 0.5 + cau cau cau cau + 0 90 0 90 +# Pattern : Regular pattern content, Number of particles per pattern + F 1 + Positions xp/L, Debye-Waller factors B11/L1 B22/L1 B12/L1 + 0. 0. 0. 0. 0. + 0.5 0.5 0. 0. 0. +