Preparations for SCUFF-EM benchmarks
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Marek Nečada
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# Drude-Lorentz models, with the same constants as in qpms.
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# Compared to qpms, sign of the imaginary part is swapped here due
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# to different time-frequency transform convention.
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MATERIAL LDSilver
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# Electronvolt over reduced Planck's constant; the omegas and gammas
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# are defined in these units.
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eh = 1519267460583196.5;
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omegap = 9.01
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f0 = 0.84
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f1 = 0.065
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f2 = 0.124
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f3 = 0.111
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f4 = 0.84
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f5 = 5.646
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omega0 = 0.0
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omega1 = 0.816
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omega2 = 4.481
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omega3 = 8.185
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omega4 = 9.083
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omega5 = 20.29
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gamma0 = 0.053
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gamma1 = 3.886
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gamma2 = 0.452
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gamma3 = 0.065
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gamma4 = 0.916
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gamma5 = 2.419
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Eps(w) = f0 * (omegap * eh)^2 / ((omega0 * eh)^2 - w^2 + I * w * gamma0) + f1 * (omegap * eh)^2 / ((omega1 * eh)^2 - w^2 + I * w * gamma1) + f2 * (omegap * eh)^2 / ((omega2 * eh)^2 - w^2 + I * w * gamma2) + f3 * (omegap * eh)^2 / ((omega3 * eh)^2 - w^2 + I * w * gamma3) + f4 * (omegap * eh)^2 / ((omega4 * eh)^2 - w^2 + I * w * gamma4) + f5 * (omegap * eh)^2 / ((omega5 * eh)^2 - w^2 + I * w * gamma5);
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ENDMATERIAL
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MATERIAL LDGold
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eh = 1519267460583196.5;
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omegap = 9.03
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f0 = 0.76
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f1 = 0.024
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f2 = 0.010
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f3 = 0.071
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f4 = 0.601
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f5 = 4.384
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omega0 = 0.0
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omega1 = 0.415
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omega2 = 0.83
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omega3 = 2.969
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omega4 = 4.304
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omega5 = 13.32
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gamma0 = 0.053
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gamma1 = 0.241
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gamma2 = 0.345
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gamma3 = 0.87
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gamma4 = 2.494
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gamma5 = 2.214
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Eps(w) = f0 * (omegap * eh)^2 / ((omega0 * eh)^2 - w^2 + I * w * gamma0) + f1 * (omegap * eh)^2 / ((omega1 * eh)^2 - w^2 + I * w * gamma1) + f2 * (omegap * eh)^2 / ((omega2 * eh)^2 - w^2 + I * w * gamma2) + f3 * (omegap * eh)^2 / ((omega3 * eh)^2 - w^2 + I * w * gamma3) + f4 * (omegap * eh)^2 / ((omega4 * eh)^2 - w^2 + I * w * gamma4) + f5 * (omegap * eh)^2 / ((omega5 * eh)^2 - w^2 + I * w * gamma5);
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ENDMATERIAL
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freqlist_scuff: freqlist_eV
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../../../../misc/omega_eV2scuff.py -o freqlist_scuff freqlist_eV
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1.0
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1.5
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2.0
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// radius, height in nanometers
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R=RADIUS/1000.;
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h=HEIGHT/1000.;
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l=ELEMSIZ/1000.;
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// Circle centers
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Point(1) = { 0, 0, h/2.,l};
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Point(2) = { 0, 0, -h/2.,l};
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// Upper circle arc limits
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Point(3) = { R, 0, h/2.,l};
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Point(4) = { 0, R, h/2.,l};
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Point(5) = {-R, 0, h/2.,l};
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Point(6) = { 0, -R, h/2.,l};
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// Upper circle
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Circle(1) = {3, 1, 4};
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Circle(2) = {4, 1, 5};
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Circle(3) = {5, 1, 6};
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Circle(4) = {6, 1, 3};
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// Lower circle arc limits
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Point(7) = { R, 0, -h/2.,l};
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Point(8) = { 0, R, -h/2.,l};
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Point(9) = {-R, 0, -h/2.,l};
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Point(10) = { 0, -R, -h/2.,l};
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// Lower circle
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Circle(5) = { 7, 2, 8};
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Circle(6) = { 8, 2, 9};
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Circle(7) = { 9, 2, 10};
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Circle(8) = {10, 2, 7};
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Line( 9) = {3,7};
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Line(10) = {4,8};
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Line(11) = {5,9};
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Line(12) = {6,10};
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Line Loop(13) = {1, 2, 3, 4};
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Line Loop(14) = {5, 6, 7, 8};
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Line Loop(15) = {1, 10, -5, -9};
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Line Loop(16) = {2, 11, -6, -10};
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Line Loop(17) = {3, 12, -7, -11};
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Line Loop(18) = {4, 9, -8, -12};
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Ruled Surface(19) = {13};
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Ruled Surface(20) = {14};
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Ruled Surface(21) = {15};
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Ruled Surface(22) = {16};
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Ruled Surface(23) = {17};
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Ruled Surface(24) = {18};
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Physical Surface(1) = {19,20,21,22,23,24};
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#!/bin/sh
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sed -e "s/RADIUS/30./g" -e "s/HEIGHT/30./g" -e "s/ELEMSIZ/4./g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r30_h30_fine.msh -2
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sed -e "s/RADIUS/30./g" -e "s/HEIGHT/30./g" -e "s/ELEMSIZ/7./g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r30_h30.msh -2
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sed -e "s/RADIUS/30./g" -e "s/HEIGHT/30./g" -e "s/ELEMSIZ/15./g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r30_h30_rough.msh -2
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sed -e "s/RADIUS/30./g" -e "s/HEIGHT/30./g" -e "s/ELEMSIZ/25./g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r30_h30_veryrough.msh -2
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sed -e "s/RADIUS/100./g" -e "s/HEIGHT/50./g" -e "s/ELEMSIZ/13.3/g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r100_h50_fine.msh -2
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sed -e "s/RADIUS/100./g" -e "s/HEIGHT/50./g" -e "s/ELEMSIZ/23.3/g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r100_h50.msh -2
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sed -e "s/RADIUS/100./g" -e "s/HEIGHT/50./g" -e "s/ELEMSIZ/50./g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r100_h50_rough.msh -2
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sed -e "s/RADIUS/100./g" -e "s/HEIGHT/50./g" -e "s/ELEMSIZ/83.3/g" cylinder.geo.template >tmp.geo \
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&& gmsh tmp.geo -o cylinder_r100_h50_veryrough.msh -2
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rm tmp.geo
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//
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// gmsh geometry specification for a sphere of radius R = RADIUS nm
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//
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//************************************************************
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//* input parameters
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//************************************************************
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R = RADIUS/1000.; // radius
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//************************************************************
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//* meshing finenesses ***************************************
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//************************************************************
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l3 = ELEMSIZ/1000.; // fineness at north pole
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l2 = ELEMSIZ/1000.; // fineness at equator
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l1 = ELEMSIZ/1000.; // fineness at south pole
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//************************************************************
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//* upper sphere *********************************************
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//************************************************************
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Point(1) = { 0 , 0, 0.0, l2};
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Point(2) = { R, 0, 0.0, l2};
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Point(3) = { 0 , R, 0.0, l2};
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Circle(1) = {2,1,3};
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Point(4) = { -R, 0, 0.0, l2};
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Point(5) = { 0, -R, 0.0, l2};
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Circle(2) = {3,1,4};
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Circle(3) = {4,1,5};
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Circle(4) = {5,1,2};
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Point(6) = { 0, 0, 0.0+R, l3};
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Point(7) = { 0, 0, 0.0-R, l1};
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Circle(5) = {3,1,6};
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Circle(6) = {6,1,5};
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Circle(7) = {5,1,7};
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Circle(8) = {7,1,3};
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Circle(9) = {2,1,7};
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Circle(10) = {7,1,4};
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Circle(11) = {4,1,6};
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Circle(12) = {6,1,2};
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Line Loop(13) = {2,8,-10};
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Ruled Surface(14) = {13};
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Line Loop(15) = {10,3,7};
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Ruled Surface(16) = {15};
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Line Loop(17) = {-8,-9,1};
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Ruled Surface(18) = {17};
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Line Loop(19) = {-11,-2,5};
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Ruled Surface(20) = {19};
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Line Loop(21) = {-5,-12,-1};
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Ruled Surface(22) = {21};
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Line Loop(23) = {-3,11,6};
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Ruled Surface(24) = {23};
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Line Loop(25) = {-7,4,9};
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Ruled Surface(26) = {25};
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Line Loop(27) = {-4,12,-6};
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Ruled Surface(28) = {27};
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Physical Surface(1) = {28,26,16,14,20,24,22,18};
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//************************************************************
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//* reference point to get outward-pointing surface normals right
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//************************************************************
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Physical Point(1) = {1};
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#!/usr/bin/env python3
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import sys
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import argparse
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ap = argparse.ArgumentParser()
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ap.add_argument("-o", type=str, help='Output file (if not specified, standard output).')
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ap.add_argument("input_file", type=str, help="Input file (if not specified, standard input).")
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a = ap.parse_args()
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if a.o:
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output = open(a.o, 'w')
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else:
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output = sys.stdout
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if a.input_file:
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input = open(a.input_file, 'r')
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else:
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input = sys.stdin
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from qpms.constants import eV2SU
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for l in input:
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print(eV2SU(float(l)), file=output)
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output.close()
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input.close()
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