[QE-users] Zak Phase (Z2 invariant) computation

[Chiara Cignarella]

Dear Rameswar Bhattacharjee


To compute the Berry phase you can use WannierTool (http://www.wanniertools.com/) or Z2Pack (https://z2pack.greschd.ch/en/latest/<https://z2pack.greschd.ch/en/latest/>) as post processing of QE.


The Zak phase is nothing else that Berry phase along a line, so you should be able to do it as well, but not sure how these programs perform the integration, so check carefully!


Hope this help.


Best regards

Chiara Cignarella


PhD student

THEOS, EPFL


________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di Rameswar Bhattacharjee <rb1820 at georgetown.edu>
Inviato: mercoledì 15 novembre 2023 03:08:08
A: Quantum ESPRESSO users Forum
Oggetto: [QE-users] Zak Phase (Z2 invariant) computation

Hi Everyone,
Can anyone in this forum suggest to me how to compute the Z2 invariant
of Zak Phases to determine the nature of the topological phase?

The Z2 value can be 0 or pi but I am not sure if we can compute this in QE.

Any suggestion would be appreciated. Thanks in advance.

Thanks


--
Rameswar Bhattacharjee
Georgetown University
Washington, DC 20057
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>)
users mailing list users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20231115/11bba193/attachment.html>