[Wien] Possible bugs in Bandstructure

[Torsten Andersen]

Of course this may be a dumb comment, but does this appear after 
printing or only in ghostview?

If it appears in printing, I would suspect that your calculation is not 
converged well enough... and that maybe your basis set is not big 
enough... but it is difficult to tell from such a short description.

Best regards,
Torsten Andersen.

Michael Gurnett wrote:
> I wsa doing some bandstructure calculations, an seem to have come up 
> against som strange behaviour. Firstly, In the SBZ of the 1x1 unit cell 
> for Si(111) moving in the K direction and moving outside the first 
> Brillouin zone one would expect that that the path should include the 
> points Gamma->K->M->K->Gamma. However, based on the bandstructure shown, 
> one get as a result Gamma->K->Gamma->K. Secondly, for the 3x1 
> reconstruction, I found that depending on the path taken results at a 
> given symmetry point may differ e.g at the symmetry point c I found that 
> a difference of -0.27 eV was obtained in one direction compared to the 
> other direction, and that several states were missing. Is this a known 
> problem?
>  
> Thanks
> ----------------------------------------------------------------
> Michael Gurnett
> Dept. of Physics,
> Inst. of Engineering Sciences, Physics and Mathematics,
> Karlstad University,
> S-651 88 Karlstad, SWEDEN
> Tel. +46 54 700 2175, Fax. +46 54 700 1829,
> Mobile phone +46 70 590 6495
> E-mail: michael.gurnett at kau.se <mailto:michael.gurnett at kau.se>, WWW: 
> http://www.ingvet.kau.se/fys/
> -----------------------------------------------------------------

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

Symposium on Excited-state properties of solids, Mannheim 2005:
See: http://cmt.physik.uni-kl.de/XSM05/