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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