Dear all, I have been using the Wannier90 with vasp 5.4.4 for a few months now. I was wondering if there is a way to determine or control the spin polarization direction for a non-collinear calculation with spin-orbit coupling.
I need to determine in a spin-orbit coupled calculation how the spins of different wannier orbitals are oriented. Suppose if I have 2 pairs of orbitals, whether one pair would have a parallel spin orientation and the other pair with antiparallel orientation, and how I could determine their angle from the z axis. If they are not parallel, then if there is a way to make them parallel in a certain direction. I have tried to set the spinor parameter in the *.win file to .true. which only introduced a warning in the log output. Any suggestion is very much appreciated. Thank you, Amartya Amartyajyoti Saha PhD Student Department of Physics University of Minnesota
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