[Wannier] Enquiry about Overlap Marix and Spin texture

[Kenan Song]

Dear All,

I am did the wannierization calculation after I got the band structure from Quantum Espresso (QE) and found that QE band structure matches well with wannier90 band structure. When I check the overlap matrix in .mmn file, I found that some elements are negative. I do not understand why it that. I suppose that it should be an unit matrix. Here is part of the contents in my .mmn file.

Created on 19Jun2016 at 23:49: 0
         120         121           8
    1    1    0    0    1
   -0.172423151726   -0.777230782356
    0.000000000081    0.000000000230
   -0.053930893649    0.068445341672
   -0.201629074020    0.449954402069
    0.113842453921    0.079842505665
    0.164064038114   -0.169387893656
    0.150215952372   -0.018454577526
   -0.015263197051    0.029272508934
    0.068184851651   -0.028368705038

Would anyone give me some explanations on it?

Another issue is that can I get the spin texture from wannier90 code, just like QE. I mean the expectation value of spin vector in x, y and z axis? If so, would you anyone provide any tutorial for it? Thank you very much.

Kind regards,

Kenan Song
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