KERNEL TRUNCATION/ISURFACE: Difference between revisions
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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. | 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.}} | {{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. | |||
*This tag is only available as of VASP.6.5.0.}} | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|KERNEL_TRUNCATION/LTRUNCATE}}, | {{TAG|KERNEL_TRUNCATION/LTRUNCATE}}, | ||
{{TAG|KERNEL_TRUNCATION/LCOARSEN}}, | {{TAG|KERNEL_TRUNCATION/LCOARSEN}}, | ||
{{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}} | {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}}, | ||
{{TAG|KERNEL_TRUNCATION/IPAD}}, | |||
{{TAG|KERNEL_TRUNCATION/FACTOR}} | |||
[[Category:INCAR tag]] | |||
[[Category:INCAR tag]][[Category:Electrostatics]] | |||
Latest revision as of 09:04, 26 November 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:
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Related tags and articles
KERNEL_TRUNCATION/LTRUNCATE, KERNEL_TRUNCATION/LCOARSEN, KERNEL_TRUNCATION/IDIMENSIONALITY, KERNEL_TRUNCATION/IPAD, KERNEL_TRUNCATION/FACTOR