[Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point

Paolo Giannozzi giannozz at democritos.it
Thu Jan 17 12:45:12 CET 2013

On Thu, 2013-01-17 at 08:09 +0000, Ijäs Mari wrote:

> I've used bands.x (lsym = .true.) to find out the symmetry
>  of each wavefunction/eigenstate but it appears that the 
> case with a single k-point is not supported. 

I think that what is not supported is the case k=0 only when
Gamma-specific tricks are used. If you use k=0 without Gamma
tricks, it should work (it worked for me). If you are using 
v.5.0.2 without patches you may need to displace line
  IF (gamma_only) CALL errore('bands','gamma_only case not
after line
  CALL read_file()
in PP/src/bands.f90

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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