On Mon, 16 Oct 2006, Rob Engelen wrote:
Take a look at the attached image, or run the script and look at the geometry. The outer most cilinder is somehow truncated, and if I try to place an object even further away from the center, it doesn't appear at all. Is this a bug, or is it me?

It looks like you are getting confused regarding the coordinate system; your structure isn't periodic with respect to the lattice vectors you gave, and hence it looks funny when you convert to a rectangular cell (with mpb-data -r) and output.

For this kind of structure, you should use orthogonal lattice vectors. That is, your periodic unit cell should be a sqrt(3) x 1 supercell, with the unit length oriented along the waveguide. That is, *without* a defect, your computational cell would look something like:

   o   o   o   o   o   o   o   o
     o   o   o   o   o   o   o
   o   o   o   o   o   o   o   o

Note also that you can use geometric-objects-duplicates to duplicate functions for arbitrary multiples of a given vector, rather than writing out all of the duplicates manually.

Steven

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

Reply via email to