Get k points

1D

The subroutine get_k_par1D provides for a maximum absolute value of k_parallel and for a given number the values of k_parallel in [1/AA].
First the according values are obtained with get_dim_BZ_2D for a value of max_k_parallel=1.0 [1/AA].
Then these values are scaled accordingly.

!------------------------------------------------------------------
! scale to maxval_k [1/AA]
!
! Note: weightV ~ area in k space which is occupied by one k point
!------------------------------------------------------------------

kxV     = kxV * maxval_k
kyV     = kyV * maxval_k
weightV = weightV * maxval_k * maxval_k

In 1D the Brillouin zone is two-dimensional.

2D

In 2D one only has to integrate over a one-dimensional Brillouin zone. The according k points (along k_z axis in the simulation system) are provided by subroutine get_kpar2D.

3D

(not applicable)

!------------------------------------------------------------------

Superlattices

Additionally superlattices are possible.

1D

The k points for the superlattice vector are provided by subroutine get_K_z_points1D.

2D

Not implemented yet: The k points for the superlattice vector are provided by subroutine get_K_x_K_y_points2D.

3D

Not implemented yet: The k points for the superlattice vector are provided by subroutine get_K_x_K_y_K_z_points3D.