? ? ? ?此部分我們整理了DDSCAT 7.3.0 Examples中所有的示例的單波長運行結果，并對vtr文件進行了可視化。

? ? ? ?對于所有的示例文件，只有個別的ddscat.par中設定了1 = NRFLD，即進行近場計算。因此，除初始設定了近場計算的示例，我們需要對所有示例目錄里面的ddscat.par文件進行修改。即，改為1 = NRFLD。同時，將近場范圍擴大0.5。

'**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z)

? ? ? ?而對于ddpostprocess.par文件中參數的設定，我們都將1 = ILINE改為0 = ILINE。

? ? ? ?其他參數均為原示例文件的默認值，并只列出了ddscat.par中的幾個主要參數，其他已經省略。

一、ANIRCTNGL

' ============ Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (ALLBIN, ORIBIN, NOTBIN) '**** Initial Memory Allocation ****' 10 20 20 = upper bound on target extent '**** Target Geometry and Composition ****' 'ANIRCTNGL' = CSHAPE*9 shape directive 10 20 20 = shape parameters SHPAR1, SHPAR2, SHPAR3 3 = NCOMP = number of dielectric materials '../diel/m1.33_0.01' = name of file containing dielectric function '../diel/m1.33_0.01' '../diel/m1.50_0.01' '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** maximum number of iterations allowed ****' 300 = MXITER '**** Interaction cutoff parameter for PBC calculations ****' 5.00e-3 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 2.0 = ETASCA (number of angles is proportional to [(2+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.5 0.5 1 'LIN' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.098475 0.098457 1 'LIN' = eff. radii (first, last, how many, how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****'0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1)0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k)0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM*6 ('LFRAME' or 'TFRAME' for Lab Frame or Target Frame) 2 = number of scattering planes 0. 0. 180. 30 = phi, thetan_min, thetan_max, dtheta (in degrees) for plane A 90. 0. 180. 30 = phi, ... for plane B

二、CYLNDRPBC

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIGIN, ALLBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'CYLNDRPBC' = CSHAPE*9 shape directive 1 64.499 2 1.0 0.0 = shape parameters 1 - 7 1 = NCOMP = number of dielectric materials '../diel/m1.33_0.01' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 200 = MXITER '**** Integration limiter for PBC calculations ****' 1.00e-3 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 6.283185 6.283185 1 'LIN' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 2.8555 2.8555 1 'LIN' = aeff (first,last,how many,how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 60. 60. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of scattering cones 0. 0. 180. 1 = OrderM zetamin zetamax dzeta for scattering cone 1

三、DSKRCTPBC

' =============== Parameter file for v7.3 ===================' '**** PRELIMINARIES ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'DSKRCTPBC' = CSHAPE*9 shape directive 6. 12. 15. 24. 24. 24. 24. = shape parameters 1 - 7 2 = NCOMP = number of dielectric materials '../diel/Au_evap' = file with refractive index 1 '../diel/Si3N4' = file with refractive index 2 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 500 = MXITER '**** Integration limiter for PBC calculations ****' 0.01 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 1 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.5320 0.5320 1 'INV' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.17406 0.17406 1 'LIN' = eff. radii (1st last howmany how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 60. 60. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of diffraction orders for transmission 0. 0. = (M,N) for scattering

四、ELLIPSOID_NEARFIELD

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) -- binary output? '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'ELLIPSOID' = CSHAPE*9 shape directive 48.49 48.49 48.49 = shape parameters 1 - 3 1 = NCOMP = number of dielectric materials '../diel/m0.96_1.01' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 for nearfield E, =2 for E and B) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extension of vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 100 = MXITER '**** Integration limiter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum Wavelengths (micron) ****' 0.5 0.5 1 'INV' = wavelengths (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium ****' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.39789 0.39789 1 'LIN' = a_eff (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of scattering planes 0. 0. 180. 1 = phi, theta_min, theta_max (deg) for plane A

五、ELLIPSOID_NEARFLD_B

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) -- binary output? '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'ELLIPSOID' = CSHAPE*9 shape directive 48.49 48.49 48.49 = shape parameters 1 - 3 1 = NCOMP = number of dielectric materials '../diel/m0.96_1.01' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 2 = NRFLD (=0 to skip, =1 to calc nearfield E, =2 to calc nearfield E and B) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extension of vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 100 = MXITER '**** Integration limiter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum Wavelengths (micron) ****' 0.5 0.5 1 'INV' = wavelengths (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium ****' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.39789 0.39789 1 'LIN' = a_eff (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of scattering planes 0. 0. 180. 1 = phi, theta_min, theta_max (deg) for plane A

六、FRMFILPBC

' =============== Parameter file for v7.3 ===================' '**** PRELIMINARIES ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'FRMFILPBC' = CSHAPE*9 shape directive 24. 24. 'shape.dat' = shape parameters 1 - 7 2 = NCOMP = number of dielectric materials '../diel/Au_evap' = file with refractive index 1 '../diel/Si3N4' = file with refractive index 2 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 500 = MXITER '**** Integration limiter for PBC calculations ****' 0.01 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 1 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.5320 0.5320 1 'INV' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.17406 0.17406 1 'LIN' = eff. radii (1st last howmany how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 60. 60. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of diffraction orders for transmission 0. 0. = (M,N) for scattering

七、FROM_FILE

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'FROM_FILE' = CSHAPE*9 shape directive no SHPAR parameters needed 1 = NCOMP = number of dielectric materials '../diel/Au_evap' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 500 = MXITER '**** Integration cutoff parameter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.500 0.500 1 'INV' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.246186 0.246186 1 'LIN' = eff. radii (first, last, how many, how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NPLANES = number of scattering planes 0. 0. 180. 5 = phi, theta_min, theta_max (deg) for plane A 90. 0. 180. 5 = phi, theta_min, theta_max (deg) for plane B

八、RCTGL_PBC_NEARFIELD

' =========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMDFFT*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) -- binary output? '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'RCTGL_PBC' = CSHAPE*9 shape directive 20 1 1 1 1 = shpar1 - shpar5 (see README.txt) 1 = NCOMP = number of dielectric materials '../diel/m1.50_0.02' = refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 1.0 1.0 0.0 0.0 0.0 0.0 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 100 = MXITER '**** Integration limiter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 1. = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum Wavelengths (micron) ****' 0.5 0.5 1 'LIN' = wavelengths (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium ****' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.0084195 0.0084195 1 'LIN' = a_eff (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 40. 40. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NORDERS = number of diffraction orders for transmission 0. 0.

? ? ? ?這里需要注意的是，對于這兩行：

? ? ? ?1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E)
? ? ? ?1.0 1.0 0.0 0.0 0.0 0.0 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z)

? ? ? ?示例文件默認只在x方向上進行了電場范圍的擴展，經我判斷，根據電場圖的結果來看，此模型是一個一維周期目標，因此只在x軸擴展范圍是合理的。而且，我自己也時間過，如果還是使用0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z)這樣在三個維度上的寬展，則ddscat程序很長時間都無法運行結束，或許永遠無法結束。

? ? ? ?后面有兩處示例有同樣的問題。

九、RCTGL_PBC_NEARFLD_B

' =========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMDFFT*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) -- binary output? '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'RCTGL_PBC' = CSHAPE*9 shape directive 20 1 1 1 1 = shpar1 - shpar5 (see README.txt) 1 = NCOMP = number of dielectric materials '../diel/m1.50_0.02' = refractive index 1 '**** Additional Nearfield calculation? ****' 2 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 1.0 1.0 0.0 0.0 0.0 0.0 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 100 = MXITER '**** Integration limiter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 1. = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum Wavelengths (micron) ****' 0.5 0.5 1 'LIN' = wavelengths (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium ****' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.0084195 0.0084195 1 'LIN' = a_eff (1st,last,howmany,how=LIN,INV,LOG,TAB) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 40. 40. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 1 = NORDERS = number of diffraction orders for transmission 0. 0.

十、RCTGLPRSM

' ========= Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMDTRQ*6 (NOTORQ, DOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, PETRKP, QMRCCG) -- CCG method 'GPFAFT' = CMDFFT*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) -- specify binary output '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'RCTGLPRSM' = CSHAPE*9 shape directive 16 32 32 = shape parameters 1 - 3 1 = NCOMP = number of dielectric materials '../diel/Au_evap' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** maximum number of iterations allowed ****' 300 = MXITER '**** Interaction cutoff parameter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.5000 0.5000 1 'LIN' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.246186 0.246186 1 'LIN' = aeff (first,last,how many,how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 2 = NPLANES = number of scattering planes 0. 0. 180. 5 = phi, thetan_min, thetan_max, dtheta (in deg) for plane 1 90. 0. 180. 5 = phi, thetan_min, thetan_max, dtheta (in deg) for plane 2

? ? ? ?仔細觀察，發現電場圖和FROM_FILE一模一樣。我們去看下兩個程序運行結果中的target.out文件，發現兩者確實是一樣的模型。

十一、SPH_ANI_N

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (ALLBIN, ORIBIN, NOTBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'SPH_ANI_N' = CSHAPE*9 shape directive 27.84 1 'BAM2.64.1_50.targ' = shape parameters PAR1, PAR2, PAR3 3 = NCOMP = number of dielectric materials '../diel/astrosil' '../diel/graphite_E_para_c' = name of file... '../diel/graphite_E_perp_c' = name of file... '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error Tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** maximum number of iterations allowed ****' 300 = MXITER '**** Interaction cutoff parameter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Wavelengths (micron) ****' 0.55 0.55 1 'LIN' = wavelengths (first, last, how many, how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium' 1.000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.200 0.200 1 'LIN' = eff. radii (first, last, how many, how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 360. 3 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 180. 3 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 4 = NPLANES = number of scattering planes 0. 0. 180. 5 = phi, thetan_min, thetan_max, dtheta (in degrees) for plane 1 90. 0. 180. 5 = phi, ... for plane 2 180. 0. 180. 5 = phi, ... for plane 3 270. 0. 180. 5 = phi, ... for plane 4

十二、SPHERES_N

' ========== Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMTORQ*6 (DOTORQ, NOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMETHD*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (ALLBIN, ORIBIN, NOTBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'SPHERES_N' = CSHAPE*9 shape directive 24 1 'BAM2.16.1.targ' = SHPAR1 filename 1 = NCOMP = number of dielectric materials '../diel/m1.33_0.01' '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error tolerance ****' 1.00e-5 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** maximum number of iterations allowed ****' 300 = MXITER '**** Interaction cutoff parameter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Wavelengths (micron) ****' 0.6 0.6 1 'LIN' = wavelengths (first, last, how many, how=LIN,INV,LOG,TAB) '**** Refractive index of ambient medium' 1.000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.25198 0.25198 1 'LIN' = eff. radii (first, last, how many, how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Specify Target Rotations ****' 0. 0 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 6 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 31 41 = indices ij of elements to print '**** Specify Scattered Directions ****' 'LFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 2 = NPLANES = number of scattering planes 0. 0. 180. 5 = phi, thetan_min, thetan_max, dtheta (in degrees) for plane 1 90. 0. 180. 5 = phi, ... for plane 2

?

十三、SPHRN_PBC

' ========= Parameter file for v7.3 ===================' '**** Preliminaries ****' 'NOTORQ' = CMTORQ*6 (NOTORQ, DOTORQ) -- either do or skip torque calculations 'PBCGS2' = CMDSOL*6 (PBCGS2, PBCGST, GPBICG, QMRCCG, PETRKP) -- CCG method 'GPFAFT' = CMDFFT*6 (GPFAFT, FFTMKL) -- FFT method 'GKDLDR' = CALPHA*6 (GKDLDR, LATTDR, FLTRCD) -- DDA method 'NOTBIN' = CBINFLAG (NOTBIN, ORIBIN, ALLBIN) '**** Initial Memory Allocation ****' 100 100 100 = dimensioning allowance for target generation '**** Target Geometry and Composition ****' 'SPHRN_PBC' = CSHAPE*9 shape directive 24 3.1749 3.1749 'BAM2.16.1.targ' = SHPAR1 SHPAR2 SHPAR3 'filename' 1 = NCOMP = number of dielectric materials '../diel/m1.33_0.01' = file with refractive index 1 '**** Additional Nearfield calculation? ****' 1 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E) 0.1 0.1 0.0 0.0 0.0 0.0 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z) '**** Error tolerance ****' 3.00e-4 = TOL = MAX ALLOWED (NORM OF |G>=AC|E>-ACA|X>)/(NORM OF AC|E>) '**** Maximum number of iterations ****' 2000 = MXITER '**** Interaction cutoff parameter for PBC calculations ****' 1.00e-2 = GAMMA (1e-2 is normal, 3e-3 for greater accuracy) '**** Angular resolution for calculation of <cos>, etc. ****' 0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 ) '**** Vacuum wavelengths (micron) ****' 0.6 0.6 1 'LIN' = wavelengths (first,last,how many,how=LIN,INV,LOG) '**** Refractive index of ambient medium' 1.0000 = NAMBIENT '**** Effective Radii (micron) **** ' 0.25198 0.25198 1 'LIN' = aeff (first,last,how many,how=LIN,INV,LOG) '**** Define Incident Polarizations ****' (0,0) (1.,0.) (0.,0.) = Polarization state e01 (k along x axis) 2 = IORTH (=1 to do only pol. state e01; =2 to also do orth. pol. state) '**** Specify which output files to write ****' 1 = IWRKSC (=0 to suppress, =1 to write ".sca" file for each target orient. '**** Prescribe Target Rotations ****' 0. 0. 1 = BETAMI, BETAMX, NBETA (beta=rotation around a1) 0. 0. 1 = THETMI, THETMX, NTHETA (theta=angle between a1 and k) 0. 0. 1 = PHIMIN, PHIMAX, NPHI (phi=rotation angle of a1 around k) '**** Specify first IWAV, IRAD, IORI (normally 0 0 0) ****' 0 0 0 = first IWAV, first IRAD, first IORI (0 0 0 to begin fresh) '**** Select Elements of S_ij Matrix to Print ****' 8 = NSMELTS = number of elements of S_ij to print (not more than 9) 11 12 21 22 33 34 43 44 = indices ij of elements to print '**** Specify Scattered Directions ****' 'TFRAME' = CMDFRM (LFRAME, TFRAME for Lab Frame or Target Frame) 5 = number of scattering orders0. 0. = Order M Order N for scattered radiation1. 0. -1. 0.0. 1.0. -1.

? ? ? ?此例無法可視化，得出的vtr文件有問題。

?

? ? ?【DDSCAT——離散偶極近似仿真程序01】概念和說明書介紹

? ? ?【DDSCAT——離散偶極近似仿真程序02】初步運行案例程序

? ? ?【DDSCAT——離散偶極近似仿真程序03】近場計算及其呈現

? ? ?【DDSCAT——離散偶極近似仿真程序04】參數理解和模型設計

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? ? ?【DDSCAT——離散偶極近似仿真程序07】模型設計Matlab代碼：圓環套多個圓柱

? ? ?【DDSCAT——離散偶極近似仿真程序08】如何在Linux系統上運行DDSCAT程序

? ? ?【DDSCAT——離散偶極近似仿真程序09】如何下載ifort安裝文件

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? ? ?【DDSCAT——離散偶極近似仿真程序11】DDSCAT目標方向的調整

? ? ?【DDSCAT——離散偶極近似仿真程序12】calltarget與vtrconvert程序的使用

? ? ?【DDSCAT——離散偶極近似仿真程序13】ParaView可視化工具的使用及其與Vislt的對比

? ? ?【DDSCAT——離散偶極近似 用戶手冊中文翻譯稿 0201】

? ? ?【DDSCAT——離散偶極近似 用戶手冊中文翻譯稿 0202】

? ? ?【DDSCAT——離散偶極近似 用戶手冊中文翻譯稿 0203】

? ???【DDSCAT——離散偶極近似 用戶手冊中文翻譯稿 0204】

? ? ?【DDSCAT——離散偶極近似 用戶手冊中文翻譯稿 0205】

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