[Wannier] Enquiry about the File from Wannier90 Code

Kenan Song kenan.song at kaust.edu.sa
Mon Nov 5 07:35:22 CET 2018

Dear All,

Can I make some enquiries about the Wannier90?

1. In tight binding hamiltonian for graphene with a two-atom unit cell, the
hopping term is the hopping parameter multiplied by the phase factor. In
Wannier90 output file, Can I also think of the hamiltonian
(seedname_he.dat) in this way? The matrix element between each neighbour
atom-pair (*e*.*g*. *H*12) in seedname_he.dat file is the hopping parameter
multiplied by the phase factor, which is also the reason why there is an
imaginary part in each matrix element? If so, can I just take the
coefficient in the imaginary term as the hopping parameter? If not, could
anyone give me some suggestions on how to extract the hopping parameter
from this seedname_hr.dat file?

2. I am trying to use VASP with the version of 5.4 to get interfaced with
Wannier90 code to compute the spin texture (the expectation value for spin
operator along *x*, *y* and *z* axes). I heard that Wannier90 interfaced
with Quantum Espresso can compute this spin texture but I am not whether
Wannier90 interfaced with VASP (version 5.4) can compute the spin texture
or not. Could anyone give me some suggestions on it?

3. Does Wannier90 also generate the Wannier basis matrix?

4. I only found that Wannier90 can compute anomalous hall conductivity
(AHE). Does Wannier90 code also compute the spin hall conductivity (SHE)?

Thank you all in advance for any helpful answer.

Kind regards,

Kieran Song


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