[QE-users] Finding Parity of Different Bands in Topological Insulator

[Asad Mahmood]

Hi everyone,

I am working with 2D materials, applying biaxial strain. At some strain
value, the electronic structure exhibits the band diagram similar to that
of a Topological Insulator (as I could observe band inversion from partial
DOS too).  The material I am working with has inversion symmetry which
implies that I can find parity eigen values at different bands(then I can
find Z2 Topological Invariant using parity eigen values).
My question is:

How can we obtain parities (or directly Z2 values, if possible) using
Quantum Espresso for a given band diagram?

Regards,
Asad Mahmood,
Physics Department,
Q.A.U, Islamabad,
Pakistan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180927/db26da9e/attachment.html>