Hi to all,

I am trying to simulate a PC asymmetric slab. I've used the run-yeven/yodd run 
function but if I ask the program to print mode parity, in order to recover the 
quasi-TE/TM like modes, I've got the following error after the first k-point 
calculation, while the program is trying to find out parity of the last band:

"Finished solving for bands 2 to 10 after 107 iterations.
yevenfreqs:, 1, 0, 0, 0, 0, 0, 0.110314, 0.120346, 0.223496, 0.239816, 0.339623,
 0.357412, 0.458293, 0.476587, 0.53817
elapsed time for k point: 5 minutes, 52 seconds.
yevenzparity:, 1, -1.0, 0.817931093575246, -0.804035178956196, 0.416573429618825
, -0.280294019299509, -0.0453411909561938, 0.186153766371718, -0.213838267739919
, -0.112659261038628, -0.979660245893559
CHECK failure on line 512
 of ../../../mpb-ctl/mpb.c: k vector is incompatible wi
th specified parity
solve_kpoint (0,0.0454545,0):"

Why is not possible to calculate that parity (and how to solve the problem to 
find the quasi-TE/TM modes for an asymmetric slab)?

Thank you.

Paolo.


This is my ctl input file:
(define-param h 0.46) ; the thickness of the slab
(define-param r 0.325) ; the radius of the holes
(define-param thick 2.5) ; the thickness of the cladding
(define-param supercell-h 7) ; height of the supercell

(set! geometry-lattice (make lattice (size 1 1 supercell-h)
                         (basis1 (/ (sqrt 3) 2) 0.5)
                         (basis2 (/ (sqrt 3) 2) -0.5)
             (basis3 0 0 1)))

(define silicon (make
 dielectric (epsilon 12.1)))
(define silica (make dielectric (epsilon 2.12)))

(define-param aaa (* -1 (+ (/ h 2) (/ thick 2))))

(set! geometry (list 
    (make block (material silicon) (center 0 0 0) (size 1 1 h))
    (make block (material silica) (center 0 0 aaa) (size 1 1 thick))
    (make cylinder (material air) (center  0 0 0) (radius r) (height h))
))

(define Gamma (vector3 0 0 0))
(define K' (lattice->reciprocal (vector3 0.5 0 0)))

(set! k-points (list (vector3 0 0 0)
                     (vector3 0 0.5 0)
                     (vector3 (/ -3) (/ 3)
 0)
                     (vector3 0 0 0)
))

(set! k-points (interpolate 10 k-points))

(set-param! resolution (vector3 16 16 32))
(set-param! num-bands 10)

(run-yeven display-zparities)
(run-yodd display-zparities)








__________________________________________________
Do You Yahoo!?
Poco spazio e tanto spam? Yahoo! Mail ti protegge dallo spam e ti da tanto 
spazio gratuito per i tuoi file e i messaggi 
http://mail.yahoo.it 
_______________________________________________
mpb-discuss mailing list
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss

Reply via email to