On May 10, 2008, at 2:16 PM, pavan jimmy wrote: > > Then, I wanted the 1D projection of it and hence used the following: > (set! geometry-lattice (make lattice (size no-size no-size 1))). > This according to the MPB user tutorial should make the problem on > dimensional, with standard basis. > But when I am executing it , however; some random calculations in 3D > are being done.
No, if you set the geometry-lattice to that, then the calculation will be 1d, in the sense that the computational cell will be (1 pixel) by (1 pixel) by (resolution pixels). Of course, you can still specify a k-point that points in the x or y direction, and thus simulate off- axis propagation in a three-dimensional multilayer film. But the underlying structure is univariate. I'm not sure what you mean by "some random calculations in 3D are being done," but I'm guessing you're misinterpreting the output of MPB. Steven _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
