[Wien] The meaning of colour in band structure plot

Yurko Natanzon yurko.natanzon at gmail.com
Fri Jul 25 17:24:59 CEST 2008


Dear Javad and Xavier,

Thank you for such a quick answer. My primary question was about band
structure produced without irrep.

In case of using irrep: how many colors are used in such a plot? Is it
possible that the number of representations will be higher than the
number of available colors?

regards,
Yurko

2008/7/25 Javad hashemifar <jhashemifar at gmail.com>:
> 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
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>
>
>
> --
> ======================================
> 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
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-- 
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


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