KERNEL TRUNCATION/ISURFACE

KERNEL_TRUNCATION/ISURFACE = 1 | 2 | 3 

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

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When performing 2D kernel truncation with KERNEL_TRUNCATION/IDIMENSIONALITY=2, KERNEL_TRUNCATION/ISURFACE specifies which direction is non-periodic. The most common use case is to set KERNEL_TRUNCATION/ISURFACE to the dimension along the surface normal.

If the surface normal points in the direction of the x-axis KERNEL_TRUNCATION/ISURFACE = 1, if it is along the y-axis, KERNEL_TRUNCATION/ISURFACE = 2 and if it is along the z-axis, KERNEL_TRUNCATION/ISURFACE = 3.

Mind: IF KERNEL_TRUNCATION/LTRUNCATE is switched off, all other KERNEL_TRUNCATION tags, i.e. KERNEL_TRUNCATION/IDIMENSIONALITY, KERNEL_TRUNCATION/LCOARSEN, and KERNEL_TRUNCATION/ISURFACE will be ignored. This tag is only available as of VASP.6.5.0.

Related tags and articles

KERNEL_TRUNCATION/LTRUNCATE, KERNEL_TRUNCATION/LCOARSEN, KERNEL_TRUNCATION/IDIMENSIONALITY, KERNEL_TRUNCATION/IPAD, KERNEL_TRUNCATION/FACTOR