Dear Kwant community, I am relatively new to Kwant. I want to see how a single impurity would affect the 2-terminal conductance spectra for various ribbons (with different terminations) of monolayer WTe2. The template for this lattice is taken from [1], which is authored by the creators of Kwant. I replaced the on-site energies for a few of the sites in the scattering region with a large number. Using the codes (from the repository of codes used for [1]) to calculate the conductance, I was able to produce conductance spectra plots of systems with single impurities for different energies. Now, I wanted to look at the wavefunctions at the sites replaced with impurities for both regular ribbon and ribbon with an added impurity site to see how added impurity is causing a change in the conductance spectrum. I know we cannot use the solver "smatrix" as it gives information about propagating modes only in the leads connected to the scattering region. The solver "wave_function" can be used to calculate the wavefunction at a given site of the scattering matrix, but I am not sure whether that would give the system's wavefunction that one requires to analyze the conductance. Can anyone suggest a way to look at the wavefunctions at impurity sites corresponding to its conductance spectrum?
Thanks, Uday Ram [1] "The influence of lattice termination on the edge states of the quantum spin Hall insulator monolayer 1T'-WTe2", 10.1103/PhysRevMaterials.3.054206(2018)
