KERNEL TRUNCATION/ISURFACE: Difference between revisions
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{{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}} | {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}} | ||
[[Category:INCAR tag]] | [[Category:INCAR tag]][[Category:Electrostatics]] | ||
Latest revision as of 07:25, 16 June 2025
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 = 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. |
Related tags and articles
KERNEL_TRUNCATION/LTRUNCATE, KERNEL_TRUNCATION/LCOARSEN, KERNEL_TRUNCATION/IDIMENSIONALITY