On May 4, 2009, at 6:27 PM, Vinodkumar Saranathan wrote:

Dear Steven and Mischa,
Thanks for your suggestions, I was able to set up the dielectric function.

However, I was trying to reproduce the result of Maldovan et al. 2002:
http://prola.aps.org/abstract/PRB/v65/i16/e165123
where they calculate the PBG for a single gyroid (I4-1-32) structure with a dielectric contrast of 13 and
dielectric packing fraction 50%

Remember that the coordinates are passed to eps-func in the basis of the lattice basis, which is *not* Cartesian coordinates since you have a non-cubic lattice with non-orthogonal lattice vectors.

If you want to have a function of (x,y,z) Cartesian coordinates, you can convert the argument of eps-func with the lattice->cartesian function, e.g.

        (define (eps-func p-lattice)
                (let* ((p (lattice->cartesian))
                          (x (vector3-x p))
                          (y (vector3-y p))
                          (z (vector3-z p)))
                        ..... compute your function of (x,y,z)....
                        ))


_______________________________________________
mpb-discuss mailing list
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss

Reply via email to