[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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