[Wien] The meaning of colour in band structure plot

[Javad hashemifar]

As far as I understood, if you do not run x irrep, then the colors as you
mentioned are just for better recognising bands and having more beautiful
plot. In this case each band has one color and band indexing is done by
simple counting of eigenvalues from the lowest one toward higher energies
(at each k point).

But if you run x irrep, then the colors have more meaning and each color
corresponds to some symmetry properties. in the case those part of bands
that have the same color have the same symmetry properties.

Javad Hashemifar


On Fri, Jul 25, 2008 at 4:42 PM, Yurko Natanzon <yurko.natanzon at gmail.com>wrote:

> Dear Wien2k users, dear Prof. Blaha,
>
> Could you explain the meaning of colours in band structure plot
> produced by w2web?
> What bands with the same colour have in common?
>
> I've examined w2web code and the manual, and it seems that colours are
> just to make a plot more beautiful,
> and have no physical meaning. But I'd like to hear from more
> experienced users whether this is true.
>
> with best regards,
> Yurko
>
>
> --
> Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
> PhD Student
> Henryk Niewodniczan`ski Institute of Nuclear Physics
> Polish Academy of Sciences
> ul. Radzikowskiego 152,
> 31-342 Krako`w, Poland
> Email: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



-- 
======================================
Seyed Javad Hashemifar, Ph.D.
current address:
Physics Department, University of Duisburg-Essen,
47057 Duisburg, Germany
Tel:+49 203 379 4743 Fax:+49 203 379 4742
permanent address:
Physics Department, Isfahan University of Technology
84154 Isfahan, Iran
Tel: +98 311 391 2375 Fax:+98 311 3912376
---------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080725/431717bf/attachment.html