Hi Mahmood,
There is a package implemented for calculating Z2 invariant. As far as I
understand it works only for centrosymmetric systems.
http://z2pack.ethz.ch/doc/2.0/example_espresso.html
On 08.09.2018 11:10, Asad Mahmood wrote:
Hi,
I am working with some 2D material and putting biaxial strain in it.
At some particular value of lattice constant the band structure shows
band inversion at Gamma point. I want to calculate Z2 topological
invariant. Please help me in computing it.
Thanks,
Asad Mahmood
QAU Islamabad,
Pakistan
_______________________________________________
users mailing list
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
--
*************************************************
PhD Marco Polo Jimenez Segura
Department of Quantum Materials (Takagi group)
Max Planck Institute for Solid State Research
Heisenbergstrasse 1, Stuttgart 70569, Germany
Institut fuer Funktionelle Materie und Quantentechnologie 3
Universitaet Stuttgart
Pfaffenwaldring 57
70569 Stuttgart
Tel:+49 711-685-65192
Fax:+49 711-685-65271
email: m.jime...@fkf.mpg.de
http://www.fkf.mpg.de/employees/48589/5238404
_______________________________________________
users mailing list
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
