[Wannier] spin orbital coupling

[Jianpeng Liu]

Hi Huaqing,

First, you need to do a spin-orbital coupling calculation in the DFT
part(QE,abinit, VASP, etc.). Then, in the Wannierisation part, you need to
double the number of WFs, set 'spinors = true', the spin-orbital couplign
will be automatically included.

best,
Jianpeng Liu
PhD candidate,
Department of Physics and Astronomy
Rutgers University

> Dear all,
>   The example08 of wannier90 gives an example of constructing Maximally
> localized spinor Wannie functions for bcc Fe. However, the calculation
> does not
> include spin-orbital coupling. Is there anyone who konw the way to
> constructe
> MLWF including spin-orbital coupling?
>
> Best wishes.
>
> --
> Huaqing Huang
> Ph.D. candidate
> Group of Condensed Matter Theory
> Department of Physics
> Tsinghua University
> Beijing, 100084
> P.R.CHINA
> Tel: 86-10-62772784
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