[Wannier] spin information of Wannier functions

Chong Wang ch-wang at outlook.com
Fri Mar 24 02:04:18 CET 2017


Hi,


I am told that in the presence of spin-orbit coupling, the Wannier functions generated by Wannier90 package are eigenstates of s_z (spin operator in the z direction), even without a .spn input file. And first half of the Wannier functions are spin up while second half are spin down.


As far as I am concerned, Wannier90 package does not know anything about spin if .spn files are not present. Then why Wannier functions should end up to be eigenstates of s_z?


Chong Wang

Institute of Advanced Study, Tsinghua University
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