Dear Dominik Gresch,
Greetings of the Day!!
I am interested in calculating the topological invariant Z2 for a 2D material using the Z2 pack. I have already run the scf, nscf calculations using first principles code Quantum Espresso and further, ran calculations using pw2wan.in and .win files in Wannier90 code. So, I have output files .eig and .mmn. I tried using and editing the code given at " https://z2pack.greschd.ch/en/latest/examples/fp/espresso.html". I dont want to run z2cmd mentioned in line "
system = z2pack.fp.System( input_files=input_files, kpt_fct=[z2pack.fp.kpoint.qe, z2pack.fp.kpoint.wannier90], kpt_path=["bi.nscf.in", "bi.win"], command=z2cmd, executable='/bin/bash', mmn_path='bi.mmn')" Instead, I want to use the output files from wannier90 and directly, use them to calculate WCC and topological invariants. Can you please guide and help me out in editing the code accordingly.
Waiting for your reply.
Thanking you,
Parrydeep Kaur Sachdeva
Research Scholar
Institute of Nano Science and Technology
Mohali, India