Generate k-mesh
based on PW/tools/kpoints.x
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 |
N.B.:
Generate n1 x n2 x n3 Monkhorst-Pack grids. The grid offsets sk1, sk2, sk3 must be 0 ( no offset ) or 1 ( grid displaced by half a grid step in the corresponding direction ).
The result is used as k-points in unit of 2π/alat. alat=celldm(1). bravais can not be 0.
Bravais not set or =0.