Hi Z2pack users,
I have a question about obtaining convergence for the Z2 invariant of 2D system (30 angstrom vacuum) I am running (kz=0). My convergence report is:
+----------------------------------------------------------------------+ | ================== | | CONVERGENCE REPORT | | ================== | | | | Line Convergence | | ================ | | | | PosCheck | | -------- | | PASSED: 16 of 21 | | FAILED: 5 of 21 | | | | Surface Convergence | | =================== | | | | GapCheck | | -------- | | PASSED: 20 of 20 | | | | MoveCheck | | --------- | | PASSED: 20 of 20 | +----------------------------------------------------------------------+
with these settings:
result_0 = z2pack.surface.run( system=system, surface=lambda s, t: [s / 2, t, 0], save_file='./results/res_0.json', load=True, iterator = (20,151,2)#,min_neighbour_dist=1e-6, num_lines = 201 )
I also tried changing the min_neighbor_dist to 1e-6 and num_lines to 201, but still could not obtain convergence in PosCheck. I’d be grateful if you could share any tips for obtaining convergence.
Thanks, -Zeeshan -- Zeeshan Ahmad PhD candidate Carnegie Mellon University