[Wannier] Enquiry about the Spin Texture extracted from WANNIER90

Kenan Song kenan.song at kaust.edu.sa
Tue Apr 9 08:52:16 CEST 2019


Dear All,

I used VASP (version 5.4.1) to interface with WANNIER90 code. After the
wannierization, I wrote a code to extract the Hamiltonian matrix from
'wannier90_hr.dat' file and got the Eigen vector matrix, through the
diagonalization of this extracted Hamiltonian matrix. With this Eigen
vector matrix, I computed the band structure and spin texture. I found that
the band structure match that from DFT results well but the spin texture
does not. All the spin pointed in the same direction from the Eigen vector
matrix based on wannierization Hamiltonian; while, the DFT results show the
spin-momentum locking feature on the texture.

I upload my parameter settings into the attachment. Would you anyone please
kindly give me some suggestions on the origin of this problem? Thank you
very much in advance.

Kind regards,

Kenan Song

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