Hi, I am running DDSCAT7.1 and I can print the wxxxryyykzzz.pol1 in a (human) readable form. However I'm not sure what the units are for the numbers I am outputting. I assume they're unitless and probably normalized to the incident electric field, but what about alpha? Is alpha normalized somehow?
Please switch to DDSCAT 7.3.2 !! DDSCAT 7.1 is no longer supported.
In Gaussian ("cgs") electromagnetism, polarizability has dimensions of volume. DDSCAT reports alpha/d^3, where d is the lattice spacing; i.e., alpha is given in units of d^3.
Dipole polarizations P_j = alpha_j*E_j are given in units of d^3 multiplied by whatever units you consider the electric field to be measured in when you specify the value of the incident E field in ddscat.par
Hello, I am using DDSCAT 7.3. After running ddscat, I get the .E1, .pol1, .pol2 files.
But even now the ddpostprocess only seems to run for .E1 file. I cannot use .pol1 file in place of .E1 file, or append .pol1 file to .E1 file (in ddpostporcess.par), and get values for polarizability.
In the User Manual, it says that the .E1 file should have the (diagonal elements) for polarizability in units of d^3, but without changes to DDPOSTPROCESS.F90, it seems only Electric field values are printed in ddpostprocess.out file.
Thank you for your time.
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First of all, thank you for sharing us your software.
I would like to calculate scattering and extinction of
1. 3X3 square arrangement of Au particles (ellipsoids or cylinders)
Diameter and height of Au is 72 nm and 35 nm, respectively.
Gap between particles is 300 nm. (Gap between the center of particles is 300 + 72 =372 nm)
Ambient media: Glass (nr = 1.52, ni = 0)
2. 10X10 square arrangement of Ga-doped ZnO (ellipsoids or cylinders)
Diameter and height of Ga-doped ZnO is 4 micron and 0.4 micron, respectively.
Gap between particles are from 0-12 micron. (Gap between the center of particles is 4-16 micron)
Ambient media: CaF2 (nr =1.433, ni = 0)
3. Hexagonal arrangement of Ga-doped ZnO (ellipsoids or cylinders)
Diameter and height of Ga-doped ZnO is 4 micron and 0.4 micron, respectively.
Gap between particles are from 0-12 micron. (Gap between the center of particles is 4-16 micron)
Ambient media: CaF2 (nr =1.433, ni = 0)
How can I decide parameters of 'ELLIPSOID' = CSHAPE*9 shape directive and 'Effective Radii (micron) '?
Also, how can I set up 2-D square and hexagonal arrangements?
I edited ddscat.par in Ellipsoid(cylinder) directory but when I run DDSCAT, it said underflow.
' ========== 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
1 1 1 = shape parameters 1 - 3
1 = NCOMP = number of dielectric materials
'../diel/Au_evap' = file with refractive index 1
' Additional Nearfield calculation? '
0 = NRFLD (=0 to skip nearfield calc., =1 to calculate nearfield E)
0.0 0.0 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. '
0.5 = ETASCA (number of angles is proportional to [(3+x)/ETASCA]^2 )
' Wavelengths (micron) '
0.4 0.9 501 'LIN' = wavelengths (1st,last,howmany,how=LIN,INV,LOG,TAB)
' Refractive index of ambient medium '
1.0000 = NAMBIENT
' Effective Radii (micron) '
0.05144 0.05144 1 'LIN' = eff. radii (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 '
9 = NSMELTS = number of elements of S_ij to print (not more than 9)
11 12 21 22 31 33 44 34 43 = 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
According to your journal "The discrete dipole approximation for periodic targets: I. theory and tests",
In practice, modern desktop computers are capable of solving the DDA equations, as implemented in DDSCAT for N as large as
∼ 10^6.
Can I assume one particle as one big dipole?
Thank you.