Dear Professor Steven and MPB users,
Using the code below, I found that two theoretically equivalent X points in the
BZ of a square lattice give very different results for the output fields. I
have a lattice of air holes in a PC slab and I am outputting the field of the
second band at two equivalent X points.
Has anyone else encountered this problem before?
Thank you for considering my question!
Janos
Department of Physics
MIT
(define-param h 0.316) ; the thickness of the slab
(define-param eps 10.56) ; the dielectric constant of the slab
(define-param r 0.4) ; the radius of the holes
(define-param supercell-h 4) ; height of the supercell
(set! geometry-lattice (make lattice (size 1 1 supercell-h)))
(set! geometry
(list (make block (material (make dielectric (epsilon eps)))
(center 0) (size infinity infinity h))
(make cylinder (material air)
(center 0) (radius r) (height supercell-h))))
(set! k-points (list (vector3 0 0.5 0) (vector3 0.5 0 0) ))
(set-param! resolution (vector3 32 32 16))
(set-param! num-bands 2)
(define (output-some-efields b)
(if (= b 2)
(output-efield b)))
(begin-time ;
(run-zeven fix-efield-phase output-some-efields))
(display-eigensolver-stats)
_______________________________________________
mpb-discuss mailing list
mpb-discuss@ab-initio.mit.edu
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
