KERNEL TRUNCATION/ISURFACE: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 1: Line 1:
{{TAGDEF|KERNEL_TRUNCATION/ISURFACE| 1 {{!}} 2 {{!}} 3 | 3}}
{{TAGDEF|KERNEL_TRUNCATION/ISURFACE| 1 {{!}} 2 {{!}} 3 }}


Description: {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods.
Description: {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods.
Line 8: Line 8:


If the surface normal points in the direction of the x-axis {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 1, if it is along the y-axis, {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 1 and if it is along the z-axis, {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 2.
If the surface normal points in the direction of the x-axis {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 1, if it is along the y-axis, {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 1 and if it is along the z-axis, {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 2.
Default behavior assumes that the surface normal is along the z-axis.


== Related tags and articles ==
== Related tags and articles ==

Revision as of 12:10, 17 October 2024

KERNEL_TRUNCATION/ISURFACE = 1 | 2 | 3 

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


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 = 1 and if it is along the z-axis, KERNEL_TRUNCATION/ISURFACE = 2.

Related tags and articles

KERNEL_TRUNCATE/LTRUNCATE, KERNEL_TRUNCATE/LCOARSEN, KERNEL_TRUNCATE/IDIMENSIONALITY