Generate k-point path (experimental)

Brillouin zone

1 = cubic P (sc ) 2 = cubic F (fcc)
3 = cubic I (bcc) 4 = hex & trigonal P
5 = trigonal r 6 = tetrag p (st )
7 = tetrag i (bct) 8 = orthor p (so )
9 = orthor base-cent. 10 = orthor face-cent.
11 = orthor body-cent. 12 = monoclinic p
13 = monocl base-cent. 14 = triclinic p

2-dimensional (surface) Brillouin zone

21 = square P 22 = hexagonal P 23 = rectangular P 24 = centred rectangular 25 = oblique P

W. Setyawan and S. Curtarolo, Comp. Mat. Sci. 49, 299 (2010).

Bravais type (1-12, 21-25): (* required)
Note: the ibrav in pw.x input file should be none-zero. ibrav=13,14 do not support k labels with letters in QE. The point number between special points is set to 30. Two dimensional BZ 21,22,23,24,25 should be used with ibrav=6,4,8,9,12.


References:

[1]W. Setyawan and S. Curtarolo, Comp. Mat. Sci. 49, 299 (2010).
[2]QE Document: q-e-qe-6.3\Doc\brillouin_zones.pdf。


Info: set bravais and submit.