Hi Derek, How narrow are the resonances? Do you have a more detailed script that demonstrates the problem, perhaps on a smaller or artificial system?
Best, Anton On Tue, 31 Aug 2021 at 23:18, <dre...@physics.ucla.edu> wrote: > > Hello all, > > In follow-up to a recent question "Numerical precision of smatrix" > https://mail.python.org/archives/list/kwant-discuss@python.org/thread/LZ22XLVMJIVBSGHX5WXYHE4B4GOZQGCH/ > , I am also having issues with numerical precision and/or convergence of the > wave functions inside the scattering region when using the default solver. > Specifically, I am calculating tunnel couplings from a lead to a well through > a barrier. There are resonances in the density of states at the energies of > bound states inside the well, whose linewidth depends on the barrier height. > When the resonances become too sharp, the DOS computed by Kwant becomes > choppy and loses its well defined resonance characteristics. How can I > improve the tolerance/precision of this calculation? > > The code to compute the DOS would look like this: > wfs = kwant.wave_function(sys,energy=energy); > wf = wfs(leadNum)[leadBandNum] > rho = kwant.operator.Density(sys); > density = rho(wf); > > Thanks, > Derek
