> Hi guys i made almost 3 years ago the geometry for the image on pp. 72. the ctl file was simple:
(define-param eps 8.9) ; the dielectric constant of the spheres (define m (make dielectric (epsilon eps))) (set! geometry-lattice (make lattice ( size 1 1 no-size))) (set! geometry (list (make cylinder (center 0 0 0)(material m) (radius infinity) (height 0.165) (axis 0 1 0)); checar el ejr\e (make cylinder (center 0 0 0)(material m) (radius infinity) (height 0.165) (axis 1 0 0)))) (set! resolution 32) (run-tm output-efield-z) (run-te (output-at-kpoint (vector3 0.5 0 0) output-hfield-z output-dpwr)) its been a while since i made it but a remembered that has a little isues with the axis, but the band structure was right. I hope this can help you. =) > Hi centaur, > > > > Thank you a lot for your explanation. I did the correction Mahmoud > suggested and I can get numerical results for all k in the Brillouin zone > now. But plotting the eigenvales doesn't give the correct band structure > (at least that one depicted in the textbook at page 72 for instance). The > first 3 bands I get are similar, but the forth one is different. I used a > 128 grid resolution and here's what I got: > > > > > > init-params: initializing eigensolver data > > Computing 8 bands with 1.000000e-07 tolerance. > > Working in 2 dimensions. > > Grid size is 128 x 128 x 1. > > Solving for 8 bands at a time. > > Creating Maxwell data... > > Allocating fields... > > Mesh size is 3. > > Lattice vectors: > > (1, 0, 0) > > (0, 1, 0) > > (0, 0, 1) > > Cell volume = 1 > > Reciprocal lattice vectors (/ 2 pi): > > (1, -0, 0) > > (-0, 1, -0) > > (0, -0, 1) > > Geometric objects: > > block, center = (0,0,0) > > size (1,1,0) > > axes (1,0,0), (0,1,0), (0,0,1) > > dielectric constant epsilon = 8.9 > > block, center = (0,0,0) > > size (0.9175,0.9175,0) > > axes (1,0,0), (0,1,0), (0,0,1) > > dielectric constant epsilon = 1 > > Geometric object tree has depth 4 and 19 object nodes (vs. 2 actual > objects) > > Initializing dielectric function... > > 16 k-points: > > (0,0,0) > > (0.1,0,0) > > (0.2,0,0) > > (0.3,0,0) > > (0.4,0,0) > > (0.5,0,0) > > (0.5,0.1,0) > > (0.5,0.2,0) > > (0.5,0.3,0) > > (0.5,0.4,0) > > (0.5,0.5,0) > > (0.4,0.4,0) > > (0.3,0.3,0) > > (0.2,0.2,0) > > (0.1,0.1,0) > > (0,0,0) > > Solving for band polarization: tm. > > Initializing fields to random numbers... > > elapsed time for initialization: 0 seconds. > > epsilon: 1-8.9, mean 2.22403, harm. mean 1.16912, 16.449% > 1, 15.4941% > "fill" > > matrixio: cannot output "epsilon" (compiled without HDF) > > Outputting epsilon... > > solve_kpoint (0,0,0): > > tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, > tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 > > Solving for bands 2 to 8... > > Finished solving for bands 2 to 8 after 24 iterations. > > tmfreqs:, 1, 0, 0, 0, 0, 0, 0.55462, 0.584893, 0.647329, 0.647329, > 0.916036, 0.975607, 1.02498 > > elapsed time for k point: 3 seconds. > > solve_kpoint (0.1,0,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 11 iterations. > > tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0669224, 0.540818, 0.576425, 0.648193, > 0.668831, 0.906108, 0.966719, 1.01149 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.2,0,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 6 iterations. > > tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.133004, 0.500709, 0.576419, 0.650482, > 0.706253, 0.883264, 0.941601, 1.00332 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.3,0,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 7 iterations. > > tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.197058, 0.451673, 0.581184, 0.653367, > 0.74477, 0.858876, 0.909578, 1.00078 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.4,0,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 6 iterations. > > tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.256026, 0.401307, 0.585904, 0.655749, > 0.780163, 0.840954, 0.877558, 0.999922 > > elapsed time for k point: 0 seconds. > > solve_kpoint (0.5,0,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 5 iterations. > > tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.290329, 0.369845, 0.587855, 0.656671, > 0.799715, 0.83437, 0.859091, 0.999707 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.5,0.1,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 7 iterations. > > tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.295654, 0.375827, 0.568536, 0.67548, > 0.800089, 0.81972, 0.859164, 0.980526 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.5,0.2,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 6 iterations. > > tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.3108, 0.392257, 0.533092, 0.709383, > 0.78517, 0.801307, 0.859364, 0.947961 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.5,0.3,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 6 iterations. > > tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.333404, 0.414639, 0.495614, > 0.743953, 0.745908, 0.804065, 0.859616, 0.913533 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.5,0.4,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 5 iterations. > > tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.358894, 0.435299, 0.461556, > 0.714307, 0.771476, 0.811843, 0.859821, 0.880291 > > elapsed time for k point: 0 seconds. > > solve_kpoint (0.5,0.5,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 5 iterations. > > tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.373594, 0.444088, 0.444088, 0.7018, > 0.781038, 0.823407, 0.859899, 0.859899 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.4,0.4,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 5 iterations. > > tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.341631, 0.45163, 0.456954, > 0.725973, 0.766027, 0.79736, 0.87409, 0.885092 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.3,0.3,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 6 iterations. > > tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.271729, 0.472824, 0.483875, > 0.735067, 0.757502, 0.782055, 0.902434, 0.922019 > > elapsed time for k point: 0 seconds. > > solve_kpoint (0.2,0.2,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 7 iterations. > > tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.186379, 0.503616, 0.519534, > 0.699542, 0.715404, 0.844811, 0.933312, 0.959658 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0.1,0.1,0): > > Solving for bands 1 to 8... > > Finished solving for bands 1 to 8 after 9 iterations. > > tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0944507, 0.536736, 0.55934, > 0.665262, 0.673318, 0.895697, 0.961462, 0.996788 > > elapsed time for k point: 1 seconds. > > solve_kpoint (0,0,0): > > Solving for bands 2 to 8... > > Finished solving for bands 2 to 8 after 14 iterations. > > tmfreqs:, 16, 0, 0, 0, 0, 0, 0.55462, 0.584893, 0.647329, 0.647329, > 0.916036, 0.975607, 1.02498 > > elapsed time for k point: 2 seconds. > > Band 1 range: 0.0 at #(0 0 0) to 0.373593761541658 at #(0.5 0.5 0) > > Band 2 range: 0.369845219009963 at #(0.5 0 0) to 0.554619673821229 at #(0 > 0 0) > > Band 3 range: 0.44408758157381 at #(0.5 0.5 0) to 0.587854966282244 at > #(0.5 0 0) > > Band 4 range: 0.647329007716348 at #(0 0 0) to 0.743953468761287 at #(0.5 > 0.3 0) > > Band 5 range: 0.647329011025346 at #(0 0 0) to 0.80008895291846 at #(0.5 > 0.1 0) > > Band 6 range: 0.7820547571181 at #(0.3 0.3 0) to 0.916036167003583 at #(0 > 0 0) > > Band 7 range: 0.859091237355604 at #(0.5 0 0) to 0.975607478161245 at #(0 > 0 0) > > Band 8 range: 0.859899019931888 at #(0.5 0.5 0) to 1.02498251525285 at #(0 > 0 0) > > Gap from band 3 (0.587854966282244) to band 4 (0.647329007716348), > 9.62998916535034% > > total elapsed time for run: 16 seconds. > > done. > > > > Some deprecated features have been used. Set the environment > > variable GUILE_WARN_DEPRECATED to "detailed" and rerun the > > program to get more information. Set it to "no" to suppress > > this message. > > > > > ------------------------------------------------------------------------------- > Valore legale alle tue mail > InterfreePEC - la tua Posta Elettronica Certificata > http://pec.interfree.it > ------------------------------------------------------------------------------- > > > _______________________________________________ > mpb-discuss mailing list > mpb-discuss@ab-initio.mit.edu > http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss > > -- > Este mensaje ha sido analizado por MailScanner > en busca de virus y otros contenidos peligrosos, > y se considera que está limpio. > MailScanner agradece a transtec Computers por su apoyo. > _______________________________________________ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss