Kristjan Eimre wrote:
I have a 3d electron potential landscape for a metal-vacuum surface calculated with DFT. (More detailed info and pictures in [1]). Can I use Kwant to calculate the transmission probability of electrons incident on the surface?
This looks to me like Kwant's first tutorial [1], 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. [1] https://kwant-project.org/doc/1/tutorial/tutorial1
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