[Wannier] Finding Berry curvature in BZ

Vahid Askarpour vh261281 at dal.ca
Sat Nov 11 23:08:08 CET 2023


Dear Stepan,

I will try the Wannierberri package. The 3D visualization is particularly attractive.

Thanks,
Vahid

> On Nov 11, 2023, at 5:18 PM, Stepan Tsirkin <stepan.tsirkin at ehu.eus> wrote:
> 
> CAUTION: The Sender of this email is not from within Dalhousie.
> 
> Dear Vahid,
> 
> In Wannier90 you can study Berry curvature slice-by-slice using the
> kslice module (see user guide)
> 
> Also, more ways of tabulating Berry curvature can be found in the
> wannierberri package
> https://tutorial.wannier-berri.org/tutorials/1_basic/tutorial-wb-basic-solution.html#Calaculation-on-a-3D-grid
> 
> Best,
> 
> Stepan.
> 
> On 06.11.23 23:59, Vahid Askarpour wrote:
>> Dear Wannier90 Users,
>> 
>> When the Berry curvature of a given material does not show a peak along high-symmetry lines of the band structure, finding the coordinates in the BZ for which the curvature is the largest is a time-consuming task. Is there a tool that allows the user to calculate Berry curvature in 3D and then from the visualization, deduce the coordinates of the hotspots?
>> 
>> Thank you,
>> Vahid
>> 
>> Vahid Askarpour
>> Physics Department
>> Dalhousie University
>> Halifax, NS, CANADA
>> _______________________________________________
>> Wannier mailing list
>> Wannier at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/wannier
> _______________________________________________
> Wannier mailing list
> Wannier at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/wannier



More information about the Wannier mailing list