diff --git a/Examples/IsGISAXS_examples/ex-15/SSCA-25.out b/Examples/IsGISAXS_examples/ex-15/SSCA-25.out new file mode 100755 index 0000000000000000000000000000000000000000..9d98655c79226e54490dbd0725adaf81fdb1805c --- /dev/null +++ b/Examples/IsGISAXS_examples/ex-15/SSCA-25.out @@ -0,0 +1,22583 @@ +#================================================================================================ +# GISAXS OUTPUT FILE +#================================================================================================ +# Date and time : Wed Apr 30 22:15:53 2008 +# Input filename : C:\Documents and Settings\Lazzari\Mes documents\Fortran\IsGISAXS\IsGISAXS_new\examples\ex-15\SSCA.inp +# Base filename : SSCA +# Type of calculation : simulation +# Ewald construction : T +# Framework : BA +# Treatment of the diffuse scattering : SSCA +# Multilayer wavefields (Parratt-like) : 0 +# Required number of slices : 25 +# Actual number of slices in z : 14 +# Grid sizes (#) and limits (deg) : 150 150 5.00000E-02 1.50000E+00 5.00000E-02 1.50000E+00 +#=====================================Beam and substrate parameters============================== +# Incident and scattered beam polarizations : ss +# Distribution of wavelength : none +# Wl0 - sigWl/Wl - FWHM-Wl (nm) : 1.00000E-01 0.00000E+00 0.00000E+00 +# Ranges of Wl (nm), width and # of points : 1.00000E-01 1.00000E-01 0.00000E+00 1 +# Distribution of incident angle : none +# Alphai - sigAlphai - FWHM-Ai (deg) : 2.00000E-01 0.00000E+00 0.00000E+00 +# Ranges of Alphai (deg), width and # of points : 2.00000E-01 2.00000E-01 0.00000E+00 1 +# Distribution of 2Theta incident angle : none +# 2Thetai - sig2Thetai - FWHM (deg) : 0.00000E+00 0.00000E+00 0.00000E+00 +# Ranges of 2Thetai (deg), width and # of points: 0.00000E+00 0.00000E+00 0.00000E+00 1 +# Substrate index of refraction (delta,beta): 6.00000E-06 2.00000E-08 +# Particle index of refraction (delta,beta): 6.00000E-04 2.00000E-08 +# Substrate roughness (nm) : 0.00000E+00 +# Layer thickness (nm) : 0.00000E+00 +# Layer index of refraction (delta,beta) : 1.00000E-05 5.00000E-07 +# Depth for the buried particle layer (nm): 0.00000E+00 +# Shell index of refraction (delta,beta) : 8.00000E-04 2.00000E-08 +#========================================Particle parameters===================================== +# Number of different particle type : 1 +#------------------------------------------------------------------------------------------------- +# Angle between base and facets (deg) : 5.47300E+01 +# Ratio between height for a cubooctahedron : 1.00000E+00 +# Flattening parameter of spheroid : 1.00000E+00 +# Truncation parameters : 8.00000E-01 8.00000E-01 +# Particle shell thickness dR-dH-dW(nnm) : 0.00000E+00 0.00000E+00 0.00000E+00 +# H uncoupled : F +# W uncoupled : F +# Particle type - Probability : cylinder 1.00000E+00 +# Distribution of radius R : gaussian +# R0 - sigR/R0 - FWHM (nm) : 5.00000E+00 2.50000E-01 2.94353E+00 +# Ranges of R (nm), width and # of points : 1.00000E-05 1.08871E+01 4.00000E+00 30 +# Distribution of height H : none +# H0/R0 - sigH/H0 - FWHM - rho_H : 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +# Ranges of H/H0, width and # of points : 1.00000E+00 1.00000E+00 0.00000E+00 1 +# Distribution of height W : none +# W0/R0 - sigW/W0 - FWHM - rho_W : 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +# Ranges of W/W0, width and # of points : 1.00000E+00 1.00000E+00 0.00000E+00 1 +# Distribution of orientations Z : none +# Z0 - sigZ - FWHM (deg) : 0.00000E+00 0.00000E+00 0.00000E+00 +# Ranges of Z (deg), width and # of points : 0.00000E+00 0.00000E+00 0.00000E+00 1 +#======================================Particle position parameters=============================== +# Distribution of particles : 1DDL +# Density of particles (nm-2) - L(nm) : 4.44444E-03 1.50000E+01 +# Size-distance coupling parameter : 4.02698E+00 +# Cut-off value for finite size effects : 1.00000E+03 +# Correlation function parameters (D,w,D1) : 1.50000E+01 5.00000E+00 2.50000E+01 +# Hard core parameters (eta, CxR, sigma(nm)) : 3.00000E-01 1.00000E+00 1.00002E+01 +# Statistical distribution : gau +# Pseudo Voigt parameter : 5.00000E-01 +#=========================================Derived parameters====================================== +# Mean wavelength (nm) : 1.00000E-01 +# Mean incident angle Alphai (deg) : 2.00000E-01 +# Mean incident angle 2Thetai (deg) : 0.00000E+00 +# Mean radius (nm) : 5.00008E+00 +# Mean gyration radius (nm) : 5.00008E+00 +# Mean height (nm) : 5.00008E+00 +# Mean width (nm) : 5.00008E+00 +# Mean height aspect ratio : 1.00000E+00 +# Mean width aspect ratio : 1.00000E+00 +# Mean volumes +, Sqrt(<V^2>) (nm^3) : 4.66335E+02 5.71361E+02 +# Mean particle orientationn (deg) : 0.00000E+00 +# Coverage : 3.70887E-01 +# Mean thickness (nm) : 2.07260E+00 +# Magic size coupling parameter : 4.02698E+00 + +#==========================================Data file============================================ +# Sin(twotheta) Sin(alphaf) Qx(nm-1) Qy(nm-1) Qz(nm-1) Qpar(nm-1) GISAXS IntFU Structure factor MFF(1) MFF(2) Diffuse Scattering + 8.72665E-04 8.72665E-04 3.34944E-04 5.48311E-02 2.74155E-01 5.48321E-02 6.07117E+03 5.74522E-01 2.19346E+04 3.40965E+04 2.34096E+04 1.06870E+04 + 8.72665E-04 1.04249E-03 3.24726E-04 5.48311E-02 2.84826E-01 5.48321E-02 5.97366E+03 5.74522E-01 2.14973E+04 3.33493E+04 2.29413E+04 1.04080E+04 + 8.72665E-04 1.21232E-03 3.12696E-04 5.48311E-02 2.95496E-01 5.48320E-02 5.87436E+03 5.74523E-01 2.10515E+04 3.25891E+04 2.24639E+04 1.01252E+04 + 8.72665E-04 1.38215E-03 2.98854E-04 5.48311E-02 3.06167E-01 5.48319E-02 5.77348E+03 5.74523E-01 2.05979E+04 3.18173E+04 2.19782E+04 9.83911E+03 + 8.72665E-04 1.55197E-03 2.83199E-04 5.48311E-02 3.16838E-01 5.48318E-02 5.67117E+03 5.74523E-01 2.01373E+04 3.10353E+04 2.14850E+04 9.55034E+03 + 8.72665E-04 1.72180E-03 2.65733E-04 5.48310E-02 3.27508E-01 5.48317E-02 5.56763E+03 5.74523E-01 1.96705E+04 3.02446E+04 2.09851E+04 9.25951E+03 + 8.72665E-04 1.89163E-03 2.46454E-04 5.48310E-02 3.38179E-01 5.48316E-02 5.46303E+03 5.74524E-01 1.91983E+04 2.94467E+04 2.04795E+04 8.96722E+03 + 8.72665E-04 2.06146E-03 2.25363E-04 5.48310E-02 3.48849E-01 5.48315E-02 5.35755E+03 5.74524E-01 1.87214E+04 2.86429E+04 1.99689E+04 8.67407E+03 + 8.72665E-04 2.23128E-03 2.02460E-04 5.48310E-02 3.59520E-01 5.48314E-02 5.25135E+03 5.74524E-01 1.82407E+04 2.78348E+04 1.94541E+04 8.38065E+03 + 8.72665E-04 2.40111E-03 1.77745E-04 5.48310E-02 3.70190E-01 5.48313E-02 5.14461E+03 5.74525E-01 1.77569E+04 2.70236E+04 1.89361E+04 8.08754E+03 + 8.72665E-04 2.57094E-03 1.51218E-04 5.48309E-02 3.80861E-01 5.48312E-02 5.03751E+03 5.74525E-01 1.72707E+04 2.62109E+04 1.84155E+04 7.79531E+03 + 8.72665E-04 2.74077E-03 1.22878E-04 5.48309E-02 3.91532E-01 5.48311E-02 4.93020E+03 5.74525E-01 1.67830E+04 2.53978E+04 1.78933E+04 7.50451E+03 + 8.72665E-04 2.91059E-03 9.27264E-05 5.48309E-02 4.02202E-01 5.48310E-02 4.82285E+03 5.74525E-01 1.62944E+04 2.45859E+04 1.73703E+04 7.21567E+03 + 8.72665E-04 3.08042E-03 6.07625E-05 5.48309E-02 4.12873E-01 5.48309E-02 4.71562E+03 5.74525E-01 1.58057E+04 2.37764E+04 1.68471E+04 6.92932E+03 + 8.72665E-04 3.25025E-03 2.69864E-05 5.48308E-02 4.23543E-01 5.48308E-02 4.60865E+03 5.74526E-01 1.53177E+04 2.29705E+04 1.63246E+04 6.64596E+03 + 8.72665E-04 3.42008E-03 -8.60187E-06 5.48308E-02 4.34214E-01 5.48308E-02 4.50210E+03 5.74526E-01 1.48309E+04 2.21696E+04 1.58035E+04 6.36608E+03 + 8.72665E-04 3.58990E-03 -4.60023E-05 5.48308E-02 4.44884E-01 5.48308E-02 4.39611E+03 5.74526E-01 1.43462E+04 2.13748E+04 1.52846E+04 6.09013E+03 + 8.72665E-04 3.75973E-03 -8.52150E-05 5.48307E-02 4.55555E-01 5.48308E-02 4.29082E+03 5.74526E-01 1.38642E+04 2.05872E+04 1.47686E+04 5.81857E+03 + 8.72665E-04 3.92956E-03 -1.26240E-04 5.48307E-02 4.66225E-01 5.48309E-02 4.18636E+03 5.74526E-01 1.33854E+04 1.98080E+04 1.42562E+04 5.55181E+03 + 8.72665E-04 4.09939E-03 -1.69077E-04 5.48307E-02 4.76896E-01 5.48309E-02 4.08285E+03 5.74525E-01 1.29107E+04 1.90382E+04 1.37480E+04 5.29025E+03 + 8.72665E-04 4.26921E-03 -2.13726E-04 5.48306E-02 4.87567E-01 5.48310E-02 3.98042E+03 5.74525E-01 1.24405E+04 1.82790E+04 1.32447E+04 5.03426E+03 + 8.72665E-04 4.43904E-03 -2.60188E-04 5.48306E-02 4.98237E-01 5.48312E-02 3.87918E+03 5.74525E-01 1.19754E+04 1.75311E+04 1.27469E+04 4.78419E+03 + 8.72665E-04 4.60887E-03 -3.08461E-04 5.48305E-02 5.08908E-01 5.48314E-02 3.77923E+03 5.74524E-01 1.15160E+04 1.67956E+04 1.22553E+04 4.54035E+03 + 8.72665E-04 4.77869E-03 -3.58547E-04 5.48305E-02 5.19578E-01 5.48317E-02 3.68068E+03 5.74523E-01 1.10628E+04 1.60733E+04 1.17703E+04 4.30306E+03 + 8.72665E-04 4.94852E-03 -4.10445E-04 5.48305E-02 5.30249E-01 5.48320E-02 3.58362E+03 5.74523E-01 1.06164E+04 1.53651E+04 1.12925E+04 4.07257E+03 + 8.72665E-04 5.11835E-03 -4.64155E-04 5.48304E-02 5.40919E-01 5.48324E-02 3.48814E+03 5.74522E-01 1.01771E+04 1.46717E+04 1.08225E+04 3.84913E+03 + 8.72665E-04 5.28818E-03 -5.19678E-04 5.48304E-02 5.51590E-01 5.48328E-02 3.39431E+03 5.74520E-01 9.74554E+03 1.39937E+04 1.03607E+04 3.63296E+03 + 8.72665E-04 5.45800E-03 -5.77013E-04 5.48303E-02 5.62261E-01 5.48333E-02 3.30221E+03 5.74519E-01 9.32204E+03 1.33319E+04 9.90762E+03 3.42425E+03 + 8.72665E-04 5.62783E-03 -6.36160E-04 5.48303E-02 5.72931E-01 5.48340E-02 3.21191E+03 5.74518E-01 8.90700E+03 1.26867E+04 9.46359E+03 3.22315E+03 + 8.72665E-04 5.79766E-03 -6.97119E-04 5.48302E-02 5.83602E-01 5.48346E-02 3.12347E+03 5.74516E-01 8.50080E+03 1.20589E+04 9.02906E+03 3.02982E+03 + 8.72665E-04 5.96749E-03 -7.59890E-04 5.48302E-02 5.94272E-01 5.48354E-02 3.03693E+03 5.74514E-01 8.10378E+03 1.14487E+04 8.60437E+03 2.84436E+03 + 8.72665E-04 6.13731E-03 -8.24474E-04 5.48301E-02 6.04943E-01 5.48363E-02 2.95235E+03 5.74511E-01 7.71623E+03 1.08567E+04 8.18986E+03 2.66685E+03 + 8.72665E-04 6.30714E-03 -8.90870E-04 5.48300E-02 6.15613E-01 5.48373E-02 2.86976E+03 5.74509E-01 7.33845E+03 1.02832E+04 7.78582E+03 2.49736E+03 + 8.72665E-04 6.47697E-03 -9.59078E-04 5.48300E-02 6.26284E-01 5.48384E-02 2.78919E+03 5.74506E-01 6.97066E+03 9.72844E+03 7.39253E+03 2.33591E+03 + 8.72665E-04 6.64680E-03 -1.02910E-03 5.48299E-02 6.36955E-01 5.48396E-02 2.71068E+03 5.74503E-01 6.61311E+03 9.19273E+03 7.01021E+03 2.18252E+03 + 8.72665E-04 6.81662E-03 -1.10093E-03 5.48299E-02 6.47625E-01 5.48409E-02 2.63425E+03 5.74499E-01 6.26596E+03 8.67625E+03 6.63907E+03 2.03718E+03 + 8.72665E-04 6.98645E-03 -1.17458E-03 5.48298E-02 6.58296E-01 5.48424E-02 2.55989E+03 5.74496E-01 5.92940E+03 8.17914E+03 6.27929E+03 1.89985E+03 + 8.72665E-04 7.15628E-03 -1.25003E-03 5.48297E-02 6.68966E-01 5.48440E-02 2.48764E+03 5.74491E-01 5.60354E+03 7.70147E+03 5.93101E+03 1.77047E+03 + 8.72665E-04 7.32611E-03 -1.32730E-03 5.48297E-02 6.79637E-01 5.48457E-02 2.41748E+03 5.74487E-01 5.28849E+03 7.24329E+03 5.59434E+03 1.64895E+03 + 8.72665E-04 7.49593E-03 -1.40639E-03 5.48296E-02 6.90307E-01 5.48476E-02 2.34943E+03 5.74482E-01 4.98434E+03 6.80458E+03 5.26937E+03 1.53521E+03 + 8.72665E-04 7.66576E-03 -1.48728E-03 5.48295E-02 7.00978E-01 5.48497E-02 2.28346E+03 5.74476E-01 4.69114E+03 6.38527E+03 4.95615E+03 1.42911E+03 + 8.72665E-04 7.83559E-03 -1.56999E-03 5.48294E-02 7.11649E-01 5.48519E-02 2.21956E+03 5.74471E-01 4.40890E+03 5.98526E+03 4.65473E+03 1.33053E+03 + 8.72665E-04 8.00542E-03 -1.65451E-03 5.48294E-02 7.22319E-01 5.48543E-02 2.15773E+03 5.74464E-01 4.13763E+03 5.60438E+03 4.36508E+03 1.23930E+03 + 8.72665E-04 8.17524E-03 -1.74084E-03 5.48293E-02 7.32990E-01 5.48569E-02 2.09794E+03 5.74458E-01 3.87730E+03 5.24246E+03 4.08720E+03 1.15526E+03 + 8.72665E-04 8.34507E-03 -1.82898E-03 5.48292E-02 7.43660E-01 5.48597E-02 2.04016E+03 5.74450E-01 3.62786E+03 4.89924E+03 3.82103E+03 1.07821E+03 + 8.72665E-04 8.51490E-03 -1.91894E-03 5.48291E-02 7.54331E-01 5.48627E-02 1.98436E+03 5.74442E-01 3.38925E+03 4.57446E+03 3.56650E+03 1.00796E+03 + 8.72665E-04 8.68473E-03 -2.01070E-03 5.48291E-02 7.65001E-01 5.48659E-02 1.93052E+03 5.74434E-01 3.16136E+03 4.26780E+03 3.32351E+03 9.44288E+02 + 8.72665E-04 8.85455E-03 -2.10428E-03 5.48290E-02 7.75672E-01 5.48693E-02 1.87859E+03 5.74425E-01 2.94409E+03 3.97892E+03 3.09195E+03 8.86976E+02 + 8.72665E-04 9.02438E-03 -2.19968E-03 5.48289E-02 7.86343E-01 5.48730E-02 1.82854E+03 5.74416E-01 2.73729E+03 3.70745E+03 2.87166E+03 8.35786E+02 + 8.72665E-04 9.19421E-03 -2.29688E-03 5.48288E-02 7.97013E-01 5.48769E-02 1.78032E+03 5.74405E-01 2.54080E+03 3.45297E+03 2.66250E+03 7.90474E+02 + 8.72665E-04 9.36403E-03 -2.39590E-03 5.48287E-02 8.07684E-01 5.48810E-02 1.73390E+03 5.74395E-01 2.35446E+03 3.21506E+03 2.46428E+03 7.50787E+02 + 8.72665E-04 9.53386E-03 -2.49673E-03 5.48286E-02 8.18354E-01 5.48855E-02 1.68922E+03 5.74383E-01 2.17808E+03 2.99326E+03 2.27680E+03 7.16467E+02 + 8.72665E-04 9.70369E-03 -2.59937E-03 5.48285E-02 8.29025E-01 5.48901E-02 1.64625E+03 5.74371E-01 2.01143E+03 2.78710E+03 2.09985E+03 6.87249E+02 + 8.72665E-04 9.87352E-03 -2.70383E-03 5.48285E-02 8.39695E-01 5.48951E-02 1.60492E+03 5.74358E-01 1.85431E+03 2.59606E+03 1.93320E+03 6.62863E+02 + 8.72665E-04 1.00433E-02 -2.81010E-03 5.48284E-02 8.50366E-01 5.49003E-02 1.56519E+03 5.74344E-01 1.70647E+03 2.41964E+03 1.77660E+03 6.43039E+02 + 8.72665E-04 1.02132E-02 -2.91818E-03 5.48283E-02 8.61037E-01 5.49059E-02 1.52701E+03 5.74330E-01 1.56766E+03 2.25731E+03 1.62981E+03 6.27501E+02 + 8.72665E-04 1.03830E-02 -3.02807E-03 5.48282E-02 8.71707E-01 5.49117E-02 1.49032E+03 5.74315E-01 1.43762E+03 2.10852E+03 1.49255E+03 6.15975E+02 + 8.72665E-04 1.05528E-02 -3.13977E-03 5.48281E-02 8.82378E-01 5.49179E-02 1.45507E+03 5.74299E-01 1.31608E+03 1.97272E+03 1.36454E+03 6.08184E+02 + 8.72665E-04 1.07227E-02 -3.25329E-03 5.48280E-02 8.93048E-01 5.49244E-02 1.42122E+03 5.74282E-01 1.20274E+03 1.84935E+03 1.24549E+03 6.03856E+02 + 8.72665E-04 1.08925E-02 -3.36862E-03 5.48279E-02 9.03719E-01 5.49313E-02 1.38870E+03 5.74264E-01 1.09731E+03 1.73783E+03 1.13511E+03 6.02718E+02 + 8.72665E-04 1.10623E-02 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2.54064E+01 2.45123E+01 2.36311E+01 2.27635E+01 2.19104E+01 2.10726E+01 2.02507E+01 1.94454E+01 1.86573E+01 1.78869E+01 1.71348E+01 1.64014E+01 1.56870E+01 1.49920E+01 1.43167E+01 1.36614E+01 1.30262E+01 1.24113E+01 1.18168E+01 1.12427E+01 1.06891E+01 1.01559E+01 9.64299E+00 9.15033E+00 8.67775E+00 8.22505E+00 7.79201E+00 7.37839E+00 6.98388E+00 6.60818E+00 6.25095E+00 5.91181E+00 5.59038E+00 5.28623E+00 4.99895E+00 4.72808E+00 4.47315E+00 4.23368E+00 4.00918E+00 3.79916E+00 3.60310E+00 3.42048E+00 3.25079E+00 3.09349E+00 2.94807E+00 2.81400E+00 2.69075E+00 2.57781E+00 2.47464E+00 2.38075E+00 2.29563E+00 2.21877E+00 2.14970E+00 2.08793E+00 2.03299E+00 1.98443E+00 1.94180E+00 1.90467E+00 1.87263E+00 1.84527E+00 1.82220E+00 1.80304E+00 1.78745E+00 1.77507E+00 1.76558E+00 1.75866E+00 1.75402E+00 1.75138E+00 1.75047E+00 1.75105E+00 1.75288E+00 1.75574E+00 1.75943E+00 1.76375E+00 1.76854E+00 1.77363E+00 1.77888E+00 1.78415E+00 1.78931E+00 1.79427E+00 1.79891E+00 1.80315E+00 1.80692E+00 1.81014E+00 1.81277E+00 1.81475E+00 1.81603E+00 1.81660E+00 1.81642E+00 1.81547E+00 1.81374E+00 1.81122E+00 1.80792E+00 1.80383E+00 1.79896E+00 1.79332E+00 1.78692E+00 1.77979E+00 1.77193E+00 1.76337E+00 1.75414E+00 1.74424E+00 1.73372E+00 1.72260E+00 1.71089E+00 1.69863E+00 1.68584E+00 1.67255E+00 1.65878E+00 1.64456E+00 1.62992E+00 1.61486E+00 1.59942E+00 1.58362E+00 1.56748E+00 1.55101E+00 1.53424E+00 1.51718E+00 1.49984E+00 1.48225E+00 1.46442E+00 1.44636E+00 1.42808E+00 1.40959E+00 1.39091E+00 1.37205E+00 diff --git a/Examples/IsGISAXS_examples/ex-15/SSCA.inp b/Examples/IsGISAXS_examples/ex-15/SSCA.inp new file mode 100755 index 0000000000000000000000000000000000000000..32afaf36492da855afcc7eb5400fe9987a29fda2 --- /dev/null +++ b/Examples/IsGISAXS_examples/ex-15/SSCA.inp @@ -0,0 +1,74 @@ +########################################## +# GISAXS SIMULATIONS : INPUT PARAMETERS +########################################### + +# Base filename +SSCA +############################ Framework and beam parameters ############################################ +# Framework Diffuse, Multilayer, Number of index slices, Polarization + BA SSCA 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) + 0.05 1.5 0.05 1.5 150 150 +# 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 + F T +# Size of particle : Radius(nm), R_distribution, SigmaR/R, Rmin(nm), Rmax(nm), nR, xR + 5 gaussian 0.25 0.1 11 30 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 + 1DDL +# Interference function : Peak position D(nm), w(nm), Statistics, Eta_Voigt, Size-Distance coupling, Cut-off + 15 5 gau 0.5 4.02698E+00 1000 +# 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 gate 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) + 3000 1000 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 2 + Positions xp/L, Debye-Waller factors B11/L1 B22/L1 B12/L1 + 0. 0. 0. 0. 0. + 0.5 0.5 0. 0. 0. +