ybfu

Results 9 comments of ybfu

Thank you for the solution. I deleted the plot part and printed the WCC result directly. The tasks are running successfully and I got the following results: For the first...

Thank you for the reply. Regarding your suggestions, I repeated several calculation tasks. However, there are still many problems. 1. For the number of used bands I changed the values...

Thank you very much for your reply. It is really helpful and important for me. In recent days I have carefully read the Z2Pack book chapter and learned a lot....

Thank you for the quick reply. I tried to set the num_wann, num_bands, and exclude_bands in the tpl_7AGNR.win to 60, 60, and 61-70. But the results are still. For the...

Here is the one printout result. The number of calculated WCC is 60. Looks like no problem. [0.2063925948242325, 0.20639259523895023, 0.20928816237869502, 0.209288163927576 8, 0.21948308711423192, 0.2194830875517462, 0.23648234583352906, 0.2364823467243 4448, 0.24580792366736018, 0.2458079237875878, 0.24919258456866117,...

> Have you tested what happens when you reduce `pos_tol`? The default value (0.01) tests for the change in position of individual WCC - after summation it could still have...

> The next step in approaching this problem would be understanding exactly which symmetry _should_ force the sum of WCC to be either 0 or 0.5, and see how this...

> > So you mean to check the coordination of each wannier center? This I didn't try before. Could you give more details about this? Thank you very much in...

Thanks for the quick reply. I will check the literature tomorrow and check my system.