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