Kristjan Eimre wrote:
I have a 3d electron potential landscape for a metal-vacuum surface calculated with DFT. (More detailed info and pictures in ). Can I use Kwant to calculate the transmission probability of electrons incident on the surface?
This looks to me like Kwant's first tutorial , only with a non-constant potential.
In order to have periodic boundary conditions across your sample just add appropriate "long range" hoppings.
Let us know if you encounter problems.