Bogusz Bujnowski wrote:
I would like to solve the 3D Schrödinger equation with a 1D potential step. With the material in the mailing list as well as from the tutorial the 2D case works fine.
Extending to 3D gives the same when just taking one lattice site in the z direction (H>1). Increasing the hight of the slab (H>1) changes the minimal energy for which transmission is possible thus my code is wrong.
Did I define and attach the leads correctly with the wraparound in 3D? The short code is below.
From a quick look at your script, the way you are using wraparound seems fine. Unfortunately, I don’t have the time to debug your problem, but here’s a suggestion of what you can do: You are using a 3D model with two translational symmetries. One of them you convert to a momentum parameter using wraparound, and the other one you use for the leads. You could simplify your script to use a 2D model, but still use two translational symmetries in the same way as now. This way, you can more easily examine your system by plotting it, and the calculations are quicker. When plotting your wrapped-around system in 2D, you should see hoppings that "wrap around" (hence the name). This should be equivalent to creating such a Builder by hand (and it should be quite easy to do in your case). So you should be able to debug the problem. Please let us know when you find a solution. We are particularly interested if you find some problem with Kwant (or its documentation). Owocnego Kwantowania! Krzysiek