simulate hcp inverse opal structure

pb-student <[email protected]> Mon, 14 Apr 2014 12:15:09 +0000 (UTC)
Newsgroups gmane.comp.science.photonic-bands
Message-ID <[email protected]>
hello,
we are trying to simulate an inverse opal hcp-structure with MIT. There seem
to be a problem with our ctl-file but we fail to figure out where the
problem is. It would be nice, if someone could check our ctl:
---- 
(set! geometry-lattice (make lattice
                          (basis-size 1 1 (sqrt(/ 8 3)))
                          (basis1 (/ 1 2) (/ (sqrt 3) 2) 0)
                          (basis2 1 0 0)
                          (basis3 0 0 1)))

 ; Corners of the irreducible Brillouin zone
 ; in a canonical order:
 (set! k-points (interpolate 7 (list
                                (vector3 (/ 2 3) (/ 1 3) 0)         ; K
                                (vector3 0.5 0 0)        	; M
                                (vector3 0 0 0 )            	; Gamma
                                (vector3 0 0 0.5)        	; A
                                (vector3 0.5 0 0.5) 	; L
                                (vector3 (/ 2 3) (/ 1 3) (/ 1 2))     ; H
                                (vector3 (/ 2 3) (/ 1 3) 0))))         ; K
                                

 ; define a couple of parameters (which we can set from the command-line)
 (define-param eps 1) ; the dielectric constant of the spheres

 (define diel (make dielectric (epsilon eps)))
 


 (set! geometry (list 
 (make ellipsoid (center 0 0 0) (material diel)
 (size 1 1 (sqrt(/ 3 8)))
 (e1 1 0 0)
 (e2 0 1 0)
 (e3 0 0 1))
 
 (make ellipsoid (center (/ 2 3) (/ 1 3) (/ 1 2)) (material diel)
 (size 1 1 (sqrt(/ 3 8)))
 (e1 1 0 0)
 (e2 0 1 0)
 (e3 0 0 1))
 
 
(set! default-material (make dielectric (epsilon 12.9)))

 (set-param! resolution 16) ; use a 16x16x16 grid
 (set-param! mesh-size 5)
 (set-param! num-bands 18)

 (run)
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