KERNEL TRUNCATION/ISURFACE: Difference between revisions

Latest revision as of 08:51, 19 December 2024

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 = 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.

@@ 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.
@@ Line 7: / Line 7: @@
 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 {{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}} = 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.}}
-Default behavior assumes that the surface is along the z-axis.
+== Related tags and articles ==
+{{TAG|KERNEL_TRUNCATION/LTRUNCATE}},
+{{TAG|KERNEL_TRUNCATION/LCOARSEN}},
+{{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}}
-== Related tags and articles ==
+[[Category:INCAR tag]]
-{{TAG|KERNEL_TRUNCATE/LTRUNCATE}},
-{{TAG|KERNEL_TRUNCATE/LCOARSEN}},
-{{TAG|KERNEL_TRUNCATE/IDIMENSIONALITY}}