I'm doing a self consistent calculation and I need the matrix element for a
site when setting the coupling.
I got it working but I wanted to know if there was a correct way.
Here is my code which uses scipy.spatial.
def onsite(site, Delta=None, coords=None):
if (Delta is None and coords is None):
Delta_r = Delta_0
else:
_, i = spatial.KDTree(coords).query(site.pos)
Delta_r = Delta[i]
return -mu * tau_z + Delta_r * tau_x
where coords is obtained by
sites = kwant.plotter.sys_leads_sites(syst, 0)[0]
coords = kwant.plotter.sys_leads_pos(syst, sites)
I feel like this may be a roundabout solution but it is working.
Any help would be appreciated.
Thanks,
Eric