6. Oktober 2015 20:57
An: wien@zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] Band labeling
Thank you very much for your helpful responds.
What i realized is that for obtaining more details such as band labeling i need
to run irrep. As you said for topological characterization, it is necessary to
obtain
sendet: Montag, 26. Oktober 2015 10:24
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Band labeling
Take the TiC calculation for example (TiC.tar.gz). In TiC.tar.gz, there is the
file "TiC.spaghetti_ene". In that file, you should see the lines:
bandindex: 5
...
0.
Take the TiC calculation for example (TiC.tar.gz). In TiC.tar.gz, there
is the file "TiC.spaghetti_ene". In that file, you should see the lines:
bandindex: 5
...
0.0 0.0 0.0 1.20853 -12.4
...
bandindex: 6
...
0.0 0.0 0.0 1.20853
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von emami seyyed amir
abbas [a.a.em...@birjand.ac.ir]
Gesendet: Montag, 26. Oktober 2015 04:40
An: wien@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
Thank you very much for your helpful responds.
What i realized is that for obtaining more details such as band labeling i need
to run irrep. As you said for topological characterization, it is necessary to
obtain band structures in irreducible representation. Is there any difference
in
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.
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