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

[Giovanni Pizzi]

Dear Shu-Ting,

Indeed, without the .spn file, Wannier does not have any information on the spin of the states.
The use of .spn has been added in Wannier 2.0, and while the Quantum Espresso interface has been updated to produce it, most other interfaces are still lagging behind.

I suggest that you contact directly the Abinit developers to know what is the status of the interface, and if there is already someone working on the support of .spn.

Best,
Giovanni



--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI PRN-MARVEL
Room MED2 1326
Station 9
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124



On 17 Feb 2016, at 23:05, Shu-Ting Pi <pipidog at gmail.com<mailto:pipidog at gmail.com>> wrote:

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<mailto: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<mailto: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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