PosCheck test under Line Convergence Fails

Zeeshan Ahmad azeeshan at cmu.edu
Thu May 17 20:35:43 CEST 2018


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

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