【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)