epsilon.png image is skewed
Özgür Önder KARAKILINÇ <[email protected]>
| Newsgroups | gmane.comp.science.photonic-bands |
|---|---|
| Message-ID | <[email protected]> |
Dear mpb users,
I am trying to get band gap with supercell.
my supercell epsilon image is not circular(attached link first image )
I read the explanation in mpb wiki page.
(http://ab-initio.mit.edu/wiki/index.php/MPB_Data_Analysis_Tutorial)
I applied to following command in order to get correct image.
unix% mpb-data -r -m 3 -n 32 epsilon.h5
unix% h5topng epsilon.h5:data-new
But I have not obtained correct image yet(attached link second image).
Could you check my ctl file.
best regards...
Onder
first image:
http://okarakilinc.pau.edu.tr/files/epsilon_first.png
second image:
http://okarakilinc.pau.edu.tr/files/epsilon_second.png
-------------------------------------------------------------------
(define-param epssub 13) ; dielectric substrate
(define-param epsair 1)
(define-param r 0.2) ; the radius of the holes
(define-param supercell-y 31) ; the (odd) number of lateral supercell periods
(set! default-material (make dielectric (epsilon epssub)))
; triangular lattice with vertical supercell:
(set! geometry-lattice (make lattice (size 1 supercell-y no-size)
(basis1 (/ (sqrt 3) 2) 0.5)
(basis2 (/ (sqrt 3) 2) -0.5)))
;;;;;;;;;;;;;;;;;;;;;;;; Geometry
(define-param a 1)
(define-param d (* (/ (sqrt 3) 2) a))
(set! geometry
(append
(geometric-objects-lattice-duplicates
(list
(make cylinder (center 0 0) (radius r) (height infinity)
(material (make dielectric (epsilon epsair)))
)
(make cylinder (center (* .5 a) (* -1 d)) (radius
r) (height infinity)
(material (make dielectric (epsilon epsair)))
)
)
1 (* a (sqrt 3) a))
))
; 1st Brillouin zone of a triangular lattice:
(define Gamma (vector3 0 0 0))
(define K' (lattice->reciprocal (vector3 0.5 0 0))) ; edge of Brillouin zone.
(define-param only-K false) ; run with only-K=true to only do this k-point
(define-param k-interp 9) ; the number of k points to interpolate
(if only-K
(set! k-points (list K))
(set! k-points (interpolate k-interp (list Gamma K'))))
(define-param res 32)
(set! grid-size (vector3 res (* res supercell-y) 1))
(define-param extra-bands 21)
(set! num-bands (+ supercell-y extra-bands))
(set-param! mesh-size 7)
(run-tm)