[Wien] Band labeling
Gavin Abo
gsabo at crimson.ua.edu
Mon Oct 26 10:24:02 CET 2015
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
...
0.00000 0.00000 0.00000 1.20853 -12.45555
...
bandindex: 6
...
0.00000 0.00000 0.00000 1.20853 0.66740
...
bandindex: 7
...
0.00000 0.00000 0.00000 1.20853 0.66740
...
where Gamma is (0, 0, 0) [
http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list?gnum=225&what=optimized
]
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