【DDSCAT——离散偶极近似仿真程序10】DDSCAT内置示例运行结果
此部分我们整理了DDSCAT 7.3.0 Examples中所有的示例的单波长运行结果，并对vtr文件进行了可视化。
对于所有的示例文件，只有个别的ddscat.par中设定了1 = NRFLD，即进行近场计算。因此，除初始设定了近场计算的示例，我们需要对所有示例目录里面的ddscat.par文件进行修改。即，改为1 = NRFLD。同时，将近场范围扩大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)而对于ddpostprocess.par文件中参数的设定，我们都将1 = ILINE改为0 = ILINE。
其他参数均为原示例文件的默认值，并只列出了ddscat.par中的几个主要参数，其他已经省略。
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.
这里需要注意的是，对于这两行：
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)
示例文件默认只在x方向上进行了电场范围的扩展，经我判断，根据电场图的结果来看，此模型是一个一维周期目标，因此只在x轴扩展范围是合理的。而且，我自己也时间过，如果还是使用0.5 0.5 0.5 0.5 0.5 0.5 (fract. extens. of calc. vol. in -x,+x,-y,+y,-z,+z)这样在三个维度上的宽展，则ddscat程序很长时间都无法运行结束，或许永远无法结束。
后面有两处示例有同样的问题。
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
仔细观察，发现电场图和FROM_FILE一模一样。我们去看下两个程序运行结果中的target.out文件，发现两者确实是一样的模型。
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 orders
0. 0. = Order M Order N for scattered radiation
1. 0.
-1. 0.
0. 1.
0. -1.此例无法可视化，得出的vtr文件有问题。
