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Dear All,<br>
<br>
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.<br>
<br>
Created on 19Jun2016 at 23:49: 0 <br>
120 121 8<br>
1 1 0 0 1<br>
-0.172423151726 -0.777230782356<br>
0.000000000081 0.000000000230<br>
-0.053930893649 0.068445341672<br>
-0.201629074020 0.449954402069<br>
0.113842453921 0.079842505665<br>
0.164064038114 -0.169387893656<br>
0.150215952372 -0.018454577526<br>
-0.015263197051 0.029272508934<br>
0.068184851651 -0.028368705038<br>
<br>
Would anyone give me some explanations on it?<br>
<br>
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
<em>x</em>, <em>y</em> and <em>z</em> axis? If so, would you anyone provide any tutorial for it? Thank you very much.<br>
<br>
Kind regards,<br>
<br>
Kenan Song<br>
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