[QE-users] Z2 topological invariant

Marco Polo marqpolo at yahoo.com.mx
Wed Sep 19 11:32:39 CEST 2018


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
>
>
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> users at lists.quantum-espresso.org
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-- 
*************************************************
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
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70569 Stuttgart

Tel:+49 711-685-65192
Fax:+49 711-685-65271

email: M.Jimenez at fkf.mpg.de
http://www.fkf.mpg.de/employees/48589/5238404

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