[Pw_forum] Parity wave function

Mohsen Modaresi modaresi.mohsen at gmail.com
Fri Sep 11 10:53:37 CEST 2015


Dear users,

I need parity wave of each bands of  band structure (in some specific K
points known as TRIM points) [PRB 76, 045302] to determine the
topological-->trivial phase transition.
In 2013 some body ask about the parity and Prof. Giannozzi suggest to use
bands.x. I did and get a .rap file. But I can not find any document to
understand the out file.
Here for example, I bring data file for one K point (Gama point).
%%%
           0.000000  0.000000  0.000000    T
       1       2       1       2       1       2       1       2
1       2
       1       2       1       2       1       2       1       2
1       2
       1       2       1       2       1       2       1       2
1       2
       1       2       1       2       1       2       1       2
1       2
       1       2       1       2       1       2       1       2
1       2
%%%

any suggestion is appreciated.
Best,

Mohsen Modarresi,
Department of Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-913-345-2131
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