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###########################################  
#GISAXS SIMULATIONS : INPUT PARAMETERS  
###########################################  
# Base filename  
results  
### Framework and Beam parameters  
# Framework,  Diffuse,  Multilayer  Number of slices,  Polarization  
DWBA  LMA  0  50  ss  
# Beam Wavelength :  Lambda(nm),  Wl_distribution,  Sigma_Wl/Wl,  Wl_min(nm),  Wl_max(nm),  nWl,  xWl  
0.1  none  0.2  0.08  0.12  10  2  
# Beam Alpha_i :  Alpha_i(nm),  Ai_distribution,  Sigma_Ai/Ai,  Ai_min(nm),  Ai_max(nm),  nAi,  xAi  
0.2  none  0.05  0.1  0.3  10  2  
# Beam 2Theta_i :  2Theta_i(nm),  Ti_distribution,  Sigma_Ti/Ti,  Ti_min(nm),  Ti_max(nm),  nTi,  xTi  
0.  none  0.05  0.1  0.1  10  2  
# Substrate :  ndelta_S,  nbeta_S,  Layer thickness(nm),  ndelta_L,  nbeta_L,  RMS(nm)  
6.11642E06  3.46012E08  0.  6.11642E06  3.46012E08  0  
# Particle :  ndelta_I,  nbeta_I,  Depth(nm),  ndelta_SH,  nbeta_SH  
1.23632E05  5.34090E07  0  8.11642E06  5.46012E08  
### Grid Parameters ###  
# Ewald mode  
T  
# Output angle(deg) :  TwoTheta minmax(deg),  Alphaf minmax(deg),  n(1),  n(2)  
0 1.5  0 1.5  50  50  
# Output q(nm1) :  Qx minmax,  Qy minmax,  Qz minmax  n(1)  n(2)  n(3)  
1 1  1 1  1 0  100  100  1  
### Particle parameters ###  
# Number of particle types  
1  
# Particle type,  Probability  
cylinder  1  
# Fixed parameters :  Base angle(deg),  Height ratio,  Flattening,  FSradii/R  
54.7356  1.  1.2  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  
6.  gaussian  0.5  0.5  10  20  2  
# Height aspect ratio :  Height/R,  H_distribution,  SigmaH/H,  Hmin/R,  Hmax/R,  nH,  xH  rho_H 
0.3  none  0.2  0.25  1.  10  2  0  
# Width aspect ratio :  Width/R,  W_distribution,  SigmaW/W,  Wmin/R,  Wmax/R,  nW,  xW  rho_W 
0.3  none  0.2  0.25  1.  10  2  0  
# Orientation of particle :  Zeta(deg),  Z_distribution,  SigmaZ(deg),  Zmin(deg),  Zmax(deg),  nZ,  xZ  
0.  none  20.  45.  45.  10  2  
### Lattice parameters ###  
# Particle distribution types  
1DDL  
# Interference function :  Peak position D(nm),  w(nm),  Statistics,  Eta_Voigt  SSCA param,  Cutoff  
20.  6.  gau  0.5  3  1000  
# Pair correlation :  Density(nm2),  D1(nm)  Sigma(nm)  
0.016  25.  20  
# Lattice parameters :  L(1)(nm),  L(2)(nm),  Angle(deg)  Xi_fixed  
7.7  17.  90.  F  
Xi(deg),  Xi_distribution,  SigmaXi(deg),  Ximin(deg),  Ximax(deg),  nXi,  xXi  
88.  none  120.  120.  120.  3  2  
Domain sizes DL(nm),  DL_distribution,  SigmaDL/DL,  DLmin(nm),  DLmax(nm),  nDL,  xDl  
4000 4000  none  0.2 0.2  200 200  400 400  10 10  2 2  
# Imperfect lattice:  Rod description,  Rod shape  
rec_prod_ca  cau cau  
Correlation lengths (nm),  Rod orientation(deg)  
400 400  0 90  
# Paracrystal :  Probability description  
prod_pa  
Disorder factors w/L  DLdistribution  Rod orientation (deg)  
0.05 0.05 0.05 0.05  
gau gau gau gau  
0 90 0 90  
# Pattern :  Regular pattern content  Particles per pattern  
F  2  
Positions xp/L,  DebyeWaller factors  
0. 0.  0. 0. 0.  
0.4 0.5  0. 0. 0. 
 (3.1) 
 (3.2) 
 (3.3) 
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 (3.5) 

 (3.7) 
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##############################################  
#  
# GISAXS SIMULATIONS : MORPHOLOGY PARAMETERS  
#  
##############################################  
# Total number of particles  # Cutoff radius (nm)  
2  20  
# Probability  Particle type  Positions(nm)  Orientation(deg)  Radius(nm)  Height/R  Base angle(deg)  Height ratio  FSradii/R 
0.5  pyramid  0 0  0  2  1  54.7356  0  0 0 
0.5  cylinder  5 5  0  2  1  54.7356  0  0 0 

 (3.12) 
###########################################  
# GISAXS FIT : INPUT PARAMETERS  
###########################################  
# Cross section :  Number of cross sections,  # points,  Fit type,  Error Bar,  Epsilon,  
2  50  0  1  0.1  
# Scale and shift factors :  A  LA  S  LS  
6e5  T  0.  F  
0 0  0 0  
F F  F F  
# Reciprocal space origin :  St(deg)  LSt  Sa(deg)  LSa  
0  T  0.  F  
0 0  0 0  
F F  F F  
### Framework and Beam parameters  
# Beam Wavelength :  Lambda (nm),  Sig_Wl  
F  F  
0 0  0 0  
F F  F F  
# Beam Alpha_i :  Alpha_i,  Sig_Ai,  2Theta_i,  Sig_Ti  
F  F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
# Substrate :  n_delta_S,  n_beta_S,  Thickness(nm)  n_delta_L,  n_beta_L,  Roughness(nm)  
F  F  F  F  F  F  
0 0  0 0  0 0  0 0  0 0  0 0  
F F  F F  F F  F F  F F  F F  
# Particle :  ndelta_I,  nbeta_I,  Depth,  ndelta_SH  nbeta_SH,  
F  F  F  F  F  
0 0  0 0  0 0  0 0  0 0  
F F  F F  F F  F F  F F  
### Particle parameters ###  
# Probability of particle type  
F  
0 1  
F F  
# Fixed geometrical parameters :  Base angle,  Height ratio,  Flattening,  FSradii/R  
F  F  F  F  F  
0 0  0 0  0 0  0 0  0 0  
F F  F F  F F  F F  F F  
# Shell thicknesses :  dR,  dH,  dW  
F  F  F  
0 0  0 0  0 0  
F F  F F  F F  
# Size of particle :  Radius(nm),  SigmaR/R  
T  F  
0 0  0 0  
F F  F F  
# Height aspect ratio :  Height/R,  SigmaH/H  
T  F  
0 0  0 0  
F F  F F  
# Width aspect ratio :  Width/R,  SigmaW/W  
T  F  
0 0  0 0  
F F  F F  
# Orientation of particle :  Zeta(deg),  SigmaZ(deg)  
F  F  
0 0  0 0  
F F  F F  
### Lattice parameters ###  
# Interference function :  Peak position D,  w,  Eta_Voigt  CutoOff  
F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
# Pair correlation function:  Density(nm2),  D1,  Sigma(nm)  
F  F  F  
0 0  0 0  0 0  
F F  F F  F F  
# Lattice parameters :  L(1)(nm),  L(2)(nm),  Angle(deg)  
F  F  F  
0 0  0 0  0 0  
F F  F F  F F  
Xi(deg),  sigmaXi(deg)  
F  F  
0 0  0 0  
F F  F F  
Domain sizes DL(nm),  SigmaDL/DL  
F  F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
# Imperfect lattice :  Correlation lengths (nm),  Rod orientation(deg)  
F  F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
# Paracrystal :  Disorder factors w/L,  Rod orientation(deg)  
F  F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
F  F  F  F  
0 0  0 0  0 0  0 0  
F F  F F  F F  F F  
# Pattern :  Positions xp/L,  DebyeWaller factors  
F  F  F  F  F  
0 0  0 0  0 0  0 0  0 0  
F F  F F  F F  F F  F F  
F  F  F  F  F  
0 0  0 0  0 0  0 0  0 0  
F F  F F  F F  F F  F F 

 (3.14) 
 (3.15) 
 (3.16) 
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 (3.18) 
#################################  
# Parallel cross section at alphaf=1deg  
# Image test  
# Weight,  Scale factor,  Shift factor,  
1.  1. F  0. F  
F F  F F  
F F  F F  
# DeltaOmega(deg),  DeltaAlphai(deg)  
0.  0.  
# Fitted,  Sin(2Thetaf),  Sin(Alphaf),  Intensity,  Error bars 
T  0  0.0174524  69290.1  
T  0.000468164  0.0174524  68691.2  
T  0.000936329  0.0174524  66955.3  
T  0.00140449  0.0174524  64264.3  
...............................  
T  0.0688201  0.0174524  11.6726  
T  0.0692883  0.0174524  11.4518  
T  0.0697565  0.0174524  11.2475  
##################################  
# Perpendicular cross section at 2theta=1deg  
# Image test  
# Weight,  Scale factor,  Shift factor,  
1.  1. F  0. F  
F F  F F  
F F  F F  
# DeltaOmega(deg),  DeltaAlphai(deg)  
0.  0.  
# Fitted,  Sin(2Thetaf),  Sin(Alphaf),  Intensity,  Error bars 
T  0.0174524  0.000468164  70.1678  
T  0.0174524  0.000936329  284.976  
T  0.0174524  0.00140449  658.752  
...............................  
T  0.0174524  0.0688201  33.54  
T  0.0174524  0.0692883  32.1555  
T  0.0174524  0.0697565  30.7835  
################################### 
 (3.19) 
#================================================================================================  
# MATRIX OF CONSTRAINTS  
#================================================================================================  
Shift  1  2  3  4  5  6  7  8  9  10  11  12  
0.0E+00  1  1.0E+00  
0.0E+00  2  0.0E+00  1.0E+00  
0.0E+00  3  0.0E+00  0.0E+00  1.0E+00  
0.0E+00  4  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
0.0E+00  5  0.0E+00  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
0.0E+00  6  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
1.0E+00  7  0.0E+00  0.0E+00  1.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  
0.0E+00  8  0.0E+00  0.0E+00  0.0E+00  1.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  
0.0E+00  9  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
0.0E+00  10  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  2.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  
0.0E+00  11  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
0.0E+00  12  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  0.0E+00  1.0E+00  
#================================================================================================  
1 1  # Scale factor :  1.0E+05  
2 2  # Shift factor :  1.0E+01  
3 3  # ( 1) Particle probability :  4.0E01  
4 4  # ( 1) Particle radius (nm) :  4.0E+00  
5 5  # ( 1) Dispersion in radius :  2.0E01  
6 6  # ( 1) Height aspect ratio :  8.0E01  
7 7  # ( 2) Particle probability :  6.0E01  
8 8  # ( 2) Particle radius (nm) :  4.0E+00  
9 9  # ( 2) Dispersion in radius :  2.0E01  
10 10  # ( 2) Height aspect ratio :  8.0E01  
11 11  # D (nm) :  1.2E+01  
12 12  # w (nm) :  6.0E+00 
 (3.20) 
############################################## 
# 
# GISAXS BATCH FILE 
# 
############################################## 
# Number of jobs 
3 
# Type of simulation (0=simulation, 1=pre_fit 2=fit) and filenames (*.inp,*.fit,*.dat,*.mor) 
0 
d:/IsGISAXS/in1.inp 
d:/Trash/in1.fit 
d:/Trash/in1.dat 
d:/Trash/in1.mor 
2 
d:/IsGISAXS/in2.inp 
d:/IsGISAXS/in2.fit 
d:/IsGISAXS/in2.dat 
d:/IsGISAXS/in2.mor 
0 
d:/IsGISAXS/in3.inp 
d:/Trash/in3.fit 
d:/Trash/in3.dat 
d:/IsGISAXS/in3.mor 
 (3.21) 
