Z2 topological invariant
Posted: Tue Jul 01, 2025 8:15 am
Hello
How to Compute Z2 topological invariant?
Hello
How to Compute Z2 topological invariant?
Hello!
This is not a quantity which can be computed directly in VASP, you will need some third-party software to extract it. Recently, a procedure using WannierTools has been discussed in this topic:
https://w-ww.vasp.at/forum/viewtopic.php?t=20248
Please have a look and also follow the links therein, maybe this is closely related to your problem.
I also found the third-party software Z2Pack which seems to be able to work with VASP data but we do not have any experience using it and I personally have not tested it.
All the best,
Andreas Singraber