wz-restrictions

!----------------------------------------------------------------!
$wz-restrictions                                       required  !
 miller-size                         integer           required  !
 miller-default-direction-of-x       integer_array     required  !
 miller-default-direction-of-y       integer_array     required  !
 direction-cosines                   double_array      required  !
 miller-direction-of-cx              integer_array     required  !
 miller-direction-of-cy              integer_array     required  !
 miller-direction-of-cz              integer_array     required  !
 lattice-constants-for-cxyz          double_array      required  !
$end_wz-restrictions                                   required  !
!----------------------------------------------------------------!

Syntax

miller-size = 4
There are four Miller-Bravais indices altogether.

miller-default-direction-of-x =  1 0 -1 0  ! corresponds to [100] direction
miller-default-direction-of-y = -1 2 -1 0  ! corresponds to [010] direction
Usually for wurtzite, the four-digit Miller-Bravais indices (h k i l) are used where i = - h - k, i.e. i is not independent.
These value can be overwritten in $domain-coordinates (hkil-x-direction, hkil-y-direction, hkil-z-direction).

direction-cosines = -0.5d0   0d0   0d0
direction cosines between lattice vectors
g1*g2, g2*g3, g1*g3 gi ... unit vectors in lattice directions

miller-direction-of-cx =  1 0 -1 0  ! corresponds to [100] direction
miller-direction-of-cy = -1 2 -1 0  ! corresponds to [010] direction
miller-direction-of-cz =  0 0  0 1  ! corresponds to [001] direction, i.e.
                                    ! axis parallel to sixfold rotational axis in wurtzite
four-digit Miller-Bravais indices

lattice-constants-for-cxyz = 1.0d0 1.0d0 1.6d0