Dear sir,
I would like to calculate z2 invariants of a 2D system under VASP. There are a few issues, which confused me. 1. I tried the example of Bi for vasp. But SOC needs more bands than the posted INCAR which contains only 15 bands. So, the results never comes out. And I am also confused the exclude bands in the wannier90.win, because the fermi level can be pined by the Dirac cones usually. In this case, I would like to know if it is correct to exclude the higher energy band of the Dirac cone?
2. The KPOINTS setup is always 1 1 7 (I followed examples of Bi) , Is there suggestions for the correct k-mesh setting? ps: I tried ‘z2pack.fp.kpoint.vasp(5)’ , the message shows the kpt can not be int. 3. Is there a more general example for 2D system, for example Graphene.
Thank you for the kind help!
Jiaduo Zhu