[Wannier] Wannier90 spin basis

Iñigo Robredo robredo.inigo at gmail.com
Wed Apr 21 11:41:33 CEST 2021


Dear all,

I have a basic question about the wannierisation procedure regarding the
spin basis. If I choose my initial basis for projection to be:

{|1u>, |2u>,..., |1d>, |2d>,...} = {|1>, |2>,...} x {|u>, |d>}

After the wannierisation procedure of either disentanglement or minimizing
the spread functional, does the final basis of Wannier functions have the
same spin basis? In the sense that the orbital part is described by a
linear combination of {|1>, |2>,...} but the spin part remains ordered the
same way. Or do spin states also get mixed?

Thank you,

Iñigo
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