生成k点路径(功能实验值中)
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 |
References:
[1]W. Setyawan and S. Curtarolo, Comp. Mat. Sci. 49, 299 (2010).[2]QE文档:q-e-qe-6.3\Doc\brillouin_zones.pdf。
Info: set bravais and submit.