[Wannier] Queries regarding Berry curvature dipole

[Stepan Tsirkin]

Dear Sayantika,

modules kslice and gyrotropic were written by different people in 
different times. Gyrotropic module evaluates (or at least it should) the 
berry dipole excatly in accordance with the equatiuon 13.1 of the user 
guide, and in agreement with the paper 
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.035158

I am not sure if/why the kslice module evaluates it as negative.

The degenreracy is not considered without SOC, so only one spin channel 
is calculated, and one has to multiply the result by 2 to restore spin 
degeneracy.

Regards,

Stepan Tsirkin,

University of Zurich.


On 16.06.21 12:48, Sayantika Bhowal wrote:
> Dear all,
>
> I am using the gyrotropic module to compute the Berry curvature dipole 
> D. Since w90 computes the /negative/ Berry curvature when 
> kslice_task=curv (or kpath_task=curv), and the D tensor is calculated 
> from the Berry curvature, does the D tensor have a /negative/ sign?
> Also, when the spin-orbit coupling is turned off, does it consider the 
> spin degeneracy of the non-magnetic system? Or only one spin channel 
> is considered?
> Thanks in advance,
>
> Best regards,
> Sayantika Bhowal
> Postdoctoral fellow
> ETH, Zurich
>
> _______________________________________________
> Wannier mailing list
> Wannier at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/wannier
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20210616/9662d666/attachment.html>