KERNEL TRUNCATION/ISURFACE: Difference between revisions

Latest revision as of 11:12, 17 March 2026

Description: Specifies the non-periodic dimension when performing calculations with the Coulomb-kernel-truncation method for 2D materials.

When performing Coulomb-kernel truncation (KERNEL_TRUNCATION/LTRUNCATE = T) with KERNEL_TRUNCATION/IDIMENSIONALITY = 2, KERNEL_TRUNCATION/ISURFACE specifies which direction is non-periodic. If the surface normal points in the direction of the x-axis set KERNEL_TRUNCATION/ISURFACE = 1, if it is along the y-axis set KERNEL_TRUNCATION/ISURFACE = 2, and along the z-axis set KERNEL_TRUNCATION/ISURFACE = 3.

Mind:

IF KERNEL_TRUNCATION/LTRUNCATE = F, all other KERNEL_TRUNCATION tags including KERNEL_TRUNCATION/ISURFACE are ignored.
Available as of VASP.6.5.0.

@@ Line 1: / Line 1: @@
 {{TAGDEF|KERNEL_TRUNCATION/ISURFACE| 1 {{!}} 2 {{!}} 3 }}
+{{DISPLAYTITLE:KERNEL_TRUNCATION/ISURFACE}}
-Description: {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods.
+Description: Specifies the non-periodic dimension when performing calculations with the Coulomb-kernel-truncation method for [[2D materials]].
 ----
-When performing 2D kernel truncation with {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}}=2, {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies which direction is non-periodic.
+When performing Coulomb-kernel truncation ({{TAG|KERNEL_TRUNCATION/LTRUNCATE|T}}) with {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY|2}}, {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies which direction is non-periodic.
-The most common use case is to set {{TAG|KERNEL_TRUNCATION/ISURFACE}} to the dimension along the surface normal.
+If the surface normal points in the direction of the x-axis set {{TAG|KERNEL_TRUNCATION/ISURFACE|1}}, if it is along the y-axis set {{TAG|KERNEL_TRUNCATION/ISURFACE|2}}, and along the z-axis set {{TAG|KERNEL_TRUNCATION/ISURFACE|3}}.
-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}} = 2 and if it is along the z-axis, {{TAG|KERNEL_TRUNCATION/ISURFACE}} = 3.
 {{NB|mind|
-*IF {{TAG|KERNEL_TRUNCATION/LTRUNCATE}} is switched off, all other KERNEL_TRUNCATION tags, i.e. {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}}, {{TAG|KERNEL_TRUNCATION/LCOARSEN}}, and {{TAG|KERNEL_TRUNCATION/ISURFACE}} will be ignored.
+*IF {{TAG|KERNEL_TRUNCATION/LTRUNCATE|F}}, all other KERNEL_TRUNCATION tags including {{TAG|KERNEL_TRUNCATION/ISURFACE}} are ignored.
-*This tag is only available as of VASP.6.5.0.}}
+*Available as of VASP.6.5.0.}}
 == Related tags and articles ==
@@ Line 20: / Line 18: @@
-[[Category:INCAR tag]][[Category:Electrostatics]]
+[[Category:INCAR tag]][[Category:Electrostatics]][[Category:2D materials]]