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Dear all,
I have a lot of experience with WannierTools for 3D materials, but now I would like to use it to calculate the Chern number of a 2D material. I understand the procedure, but I am unsure about the format of the Hamiltonian file I need to provide for the film. I can generate the Hamiltonian file in any of these three formats:
- A strictly 2D Hamiltonian (no z components of the R vectors)
- A 2D Hamiltonian in a 3D space (z components of R vectors = 0)
- Or a 3D Hamiltonian of 2D repeated slabs with vacuum in between.
Can you tell me which one I need to use for the calculation of the Chern number?
I also have the same question for the calculation of the 1D edge state of a 2D material. The question is the same, but maybe the answer is different. What format do I need to use for the 2D Hamiltonian file in this case?
Thank you.
Best wishes,
Irene
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