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(define-param tri? false) | ||
(set-param! mesh-size 1) | ||
(define-param mg-res 32) | ||
(set-param! resolution 64) | ||
(define-param eps 12) | ||
(set-param! tolerance 1e-13) | ||
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(if (not deterministic?) | ||
(let ((time (gettimeofday))) | ||
(set! *random-state* | ||
(seed->random-state (+ (car time) | ||
(cdr time)))))) | ||
(define-param r 0.1) | ||
(define-param rand-init? true) | ||
(define-param kind U-SUM) | ||
(define mg (make material-grid | ||
(epsilon-min 1) | ||
(epsilon-max eps) | ||
(material-grid-kind kind) | ||
(size mg-res mg-res 1) | ||
(matgrid-init | ||
(if rand-init? | ||
(lambda (x y z) (random:uniform)) | ||
(lambda (x y z) | ||
(if (< (+ (* x x) (* y y)) (* r r)) | ||
0.0 1.0)))))) | ||
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(if tri? | ||
(set! geometry-lattice (make lattice (size 1 1 no-size) | ||
(basis1 (/ (sqrt 3) 2) 0.5) | ||
(basis2 (/ (sqrt 3) 2) -0.5))) | ||
(set! geometry-lattice (make lattice (size 1 1 no-size)))) | ||
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(set! geometry | ||
(list | ||
(make block (e1 1 0) (e2 0 1) | ||
(center 0) (size 1 1) ( material mg)))) | ||
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(define-param band 1) | ||
(set! num-bands 1) | ||
(define-param gridfile false) | ||
(if gridfile | ||
(load-material-grid! mg gridfile (vector3 supercell supercell 1))) | ||
(define-param noise 0) | ||
(if (> noise 0) | ||
(randomize-material-grid! mg noise)) | ||
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(init-params NO-PARITY true) | ||
(set! interactive? false) | ||
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(define-param epsfile false) | ||
(if epsfile | ||
(material-grids-match-epsilon-file! epsfile 1e-4)) | ||
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(define-param gaptol 0) | ||
(define-param epstol 0) | ||
(define-param maxeval 40) | ||
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(define-param kx 0.1234) | ||
(define-param ky 0.3456) | ||
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(material-grids-min-tetm-gap | ||
(vector3 kx ky) band | ||
gaptol epstol maxeval 0) | ||
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(save-material-grid mg (string-append (get-filename-prefix) "grid")) | ||
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(set! k-points (list (vector3 kx ky))) | ||
(set! num-bands 2) | ||
(run) |