[Wien] Band labeling

Fecher, Gerhard fecher at uni-mainz.de
Mon Oct 26 09:08:59 CET 2015


select 1 k-point (Gamma point)
and use irrep
see the manual for the correct switches

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von emami seyyed amir abbas [a.a.emami at birjand.ac.ir]
Gesendet: Montag, 26. Oktober 2015 04:40
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Band labeling

Dear users

I am trying to label the band structures (i.e. gamma 6, gamma 7 etc). In fact, for investigation of the topological properties of compounds, it is required to specify the band index. Now how can i label the band structures? Any suggestions will be appreciate in advanced.


More information about the Wien mailing list