KERNEL TRUNCATION/ISURFACE

From VASP Wiki

KERNEL_TRUNCATION/ISURFACE_NORMAL = 0 | 1 | 2
Default: KERNEL_TRUNCATION/ISURFACE_NORMAL = 0 

Description: KERNEL_TRUNCATION/ISURFACE_NORMAL specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods.


When performing 2D kernel truncation with KERNEL_TRUNCATION/IDIMENSIONALITY_CUTOFF=2, KERNEL_TRUNCATION/ISURFACE_NORMAL specifies which direction is non-periodic. The most common use case is to set KERNEL_TRUNCATION/ISURFACE_NORMAL to the dimension along the surface normal. If the surface normal points in the direction of the x-axis KERNEL_TRUNCATION/ISURFACE_NORMAL = 0, if it is along the y-axis, KERNEL_TRUNCATION/ISURFACE_NORMAL = 1 and if it is along the z-axis, KERNEL_TRUNCATION/ISURFACE_NORMAL = 2