On Aug 31, 2012, at 11:00 AM, Nance, Douglas V Dr CIV USAF AFMC AFRL/RWWC wrote: > I am using MPB to compute dispersion relations for the diamond lattice > as described by a minimal surface equation: > > cos(Z) sin(X+Y) + sin(Z) cos(X-Y) = t > > where X = 2 pi x/a; Y = 2 pi y/a; Z = 2 pi z/a. Lower case x, y and z > are the Cartesian coordinates for the surface.
This is not the function that you are implementing: > (define (eps-func p) > (set! fr 0.0) > (set! px (vector3-x (lattice->cartesian p))) > (set! py (vector3-y (lattice->cartesian p))) > (set! pz (vector3-z (lattice->cartesian p))) > (set! fr (+ (+ (* px twopioa) (* py twopioa)) (* pz twopioa))) > (make dielectric (epsilon > (if (> fr t) epsa epsc )))) You are computing the interface X+Y + Z = t (You don't call cosine or sine, or compute X-Y.) In general, it is a good idea to visualize the structure by looking at the epsilon.h5 file with a plotting tool (usually using mpb-data, as described in the data-analysis tutorial), to make sure it is the structure that you think it is. --SGJ _______________________________________________ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss