[Wannier] how do you determine which Wannier orbital corresponds to which projection?
Robert Collyer
rcollyer at phys.lsu.edu
Mon Mar 14 20:35:46 CET 2011
All,
I know from a previous question posted to this list that you determine
where each Wannier orbital is located in the Hamiltonian via the
case_centres.xyz file. But, how do you determine which orbital is
which, e.g. d_z^2, etc.? Is this even possible with the amount of
mixing going on in the unitary transform?
Thanks,
Rob Collyer
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