[Pw_forum] Topological phase with parity

[Mohsen Modaresi]

Dear all,

As you know one can determine the Z2 topological invariant by using the
parity of filled wave function. I performed such a calculation for stanene
(Tin 2D structure) and other structure. For stanene some parities are "?"
so I decide to check for other structures with strong spin-orbit
interaction. I check 3 different structures and find that the QE give Z2
invariant +1 (topological phase) with and without spin-orbit coupling.
There is no band inversion in TRIM points but the Z2 invariant is 1, even
without considering spin-orbit interaction.
In most of works people used VASP for parities, did any one try Z2
invariant with QE?
Any suggestion appreciated.

Best,
-- 
Mohsen Modarresi,
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-9133452131
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