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 >> 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 > --------------------------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- 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