Hello everyone. I am a beginner, I want to write a script abut diamond.All
the conditions are the same as the following script except lattice.I want to
change the lattice from triangular to diamond.Thanks very much!!!
(set! num-bands 8)
(set! geometry-lattice (make lattice (size 1 1 no-size)
(basis1 (/ (sqrt 3) 2) 0.5)
(basis2 (/ (sqrt 3) 2) -0.5)))
(set! geometry (list (make cylinder
(center 0 0 0) (radius 0.2) (height infinity)
(material (make dielectric (epsilon 12))))))
(set! k-points (list (vector3 0 0 0) ; Gamma
(vector3 0 0.5 0) ; M
(vector3 (/ -3) (/ 3) 0) ; K
(vector3 0 0 0))) ; Gamma
(set! k-points (interpolate 4 k-points))
(set! resolution 32)
(run-tm)
(run-te)
_______________________________________________
mpb-discuss mailing list
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
