You are correct, Li. Of course the periodic boundaries introduce additional
modes, no idea how I forgot that. And the number of modes matches nicely
with the analytical results of the free electron model too.
I plotted the square of the absolute value of the wave function in the last
script. For
I think your code is correct now. It's reasonable that the propagating mode
changes from 1 to 3 because of the finite periodic width W in stead of W=0.
Please check free electron model in one dimentional case. With incresing
energy, the number of bands at k=0 increases from 1 at energy=0 to 3 at
Hi Kristjan,
I'm working on 3D periodic boundary problem recently. Your code really
helps me a lot. I tested your code. It seems working with nanowire leads
instead of a periodic repeat in y direction. I changed the leads setting a
little as following. A translational symmetry along y direction
