[Wannier] How to get spin information of Wannier functions?

Shu-Ting Pi pipidog at gmail.com
Wed Feb 17 23:05:08 CET 2016


Hello Giovanni,

Thank you for your suggestion. I've checked ex.17, but I'm still confused
about it.
I'm using abinit to output "mmn" and "amn" files. Then I use w90 with input
files
very close to ex.17 (spinor=true) and I got band interpolation very well.

However, during the calculation, I got no "spn" file. Is it because abinit
is interfaced
with w90 1.2 version rather than 2.0?

Actually all that I want to know is the spin of each WF. Is the spin of
each WF not
well-defined? If so, would that be possible to extract it from w90-1.2 ?

Thanks,
Shu-Ting

-----
Shu-Ting Pi
University of California, Irvine

On Tue, Feb 16, 2016 at 10:56 PM, Giovanni Pizzi <giovanni.pizzi at epfl.ch>
wrote:

> Dear Shu-Ting Pi,
>
> first of all please remember to sign your posts with your scientific
> affiliation.
>
> Then, regarding your questions: did you check for instance example 17 of
> the tutorial? http://www.wannier.org/doc/tutorial.pdf
>
> Best,
>
> Giovanni
>
>
> On 16 Feb 2016, at 23:32, Shu-Ting Pi <pipidog at gmail.com> wrote:
>
> ​Dear all,
>
> Is there any way to explore the spin texture of WFs?
> I used spinor WFs to interpolate the band structure of a spin-orbit
> coupled
> systems. The band structures fit very well.
> However, I got no idea regarding the spin texture of WFs.
> I checked wout and many other output files, but none of them contains
> this information. Is there any way that I can get the spin information
> of each WF?
>
> Thanks!  ​
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>
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