[Pw_forum] Parity wave function

[Andrea Dal Corso]

The numbers indicate, for each band, the number of the representation of
the small group of K. The character table for the point group is written
in the output of the bands.x program and the number corresponds to the
number of the representation in the character table. 

HTH,

Andrea

On Fri, 2015-09-11 at 13:23 +0430, Mohsen Modaresi wrote:
> 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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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
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