KERNEL TRUNCATION/ISURFACE: Difference between revisions
No edit summary |
No edit summary |
||
| (10 intermediate revisions by one other user not shown) | |||
| Line 1: | Line 1: | ||
{{TAGDEF|KERNEL_TRUNCATION/ | {{TAGDEF|KERNEL_TRUNCATION/ISURFACE| 1 {{!}} 2 {{!}} 3 }} | ||
Description: {{TAG|KERNEL_TRUNCATION/ | Description: {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies the non-periodic dimension when performing calculations with 2D kernel truncation methods. | ||
---- | ---- | ||
When performing 2D kernel truncation with {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}}=2, {{TAG|KERNEL_TRUNCATION/ISURFACE}} specifies which direction is non-periodic. | When performing 2D kernel truncation 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. | 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}} = | |||
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.}} | |||
== Related tags and articles == | |||
{{TAG|KERNEL_TRUNCATION/LTRUNCATE}}, | |||
{{TAG|KERNEL_TRUNCATION/LCOARSEN}}, | |||
{{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY}} | |||
[[Category:INCAR tag]] | |||
Latest revision as of 08:51, 19 December 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 = 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