KERNEL TRUNCATION/FACTOR: Difference between revisions
(Created page with "{{TAGDEF|KERNEL_TRUNCATION/FACTOR| real}} {{DEF|KERNEL_TRUNCATION/FACTOR|$\sqrt{3}$|if {{TAGO|KERNEL_TRUNCATION/IDIMENSIONALITY|0}}|1|if {{TAGO|KERNEL_TRUNCATION/IDIMENSIONALITY|2}}}} '''Description:''' {{TAG|KERNEL_TRUNCATION/FACTOR}} determines the spatial extent of the truncated Coulomb interaction relative to the full cell dimension along the truncation direction{{cite|vijay:arxiv:2024}}. ---- This tag defines the cutoff distance of the Coulomb kernel truncati...") |
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This tag defines the cutoff distance of the Coulomb kernel truncation boundary. It is expressed as a fraction of the simulation cell length along the truncated axis (e.g., the surface normal for 2D systems). | This tag defines the cutoff distance of the Coulomb kernel truncation boundary. It is expressed as a fraction of the simulation cell length along the truncated axis (e.g., the surface normal for 2D systems). | ||
{{NB|mind|{{TAG|KERNEL_TRUNCATION/LTRUNCATE}} must be set to <code>.TRUE.</code> for {{TAG|KERNEL_TRUNCATION/FACTOR}} to take effect.}} | {{NB|mind|{{TAG|KERNEL_TRUNCATION/LTRUNCATE}} must be set to <code>.TRUE.</code> for {{TAG|KERNEL_TRUNCATION/FACTOR}} to take effect.}} | ||
Revision as of 07:57, 14 October 2025
KERNEL_TRUNCATION/FACTOR = real
| Default: KERNEL_TRUNCATION/FACTOR | = $\sqrt{3}$ | if KERNEL_TRUNCATION/IDIMENSIONALITY = 0
|
| = 1 | if KERNEL_TRUNCATION/IDIMENSIONALITY = 2
|
Description: KERNEL_TRUNCATION/FACTOR determines the spatial extent of the truncated Coulomb interaction relative to the full cell dimension along the truncation direction[1].
This tag defines the cutoff distance of the Coulomb kernel truncation boundary. It is expressed as a fraction of the simulation cell length along the truncated axis (e.g., the surface normal for 2D systems).
Mind: KERNEL_TRUNCATION/LTRUNCATE must be set to .TRUE. for KERNEL_TRUNCATION/FACTOR to take effect.
|
Example
KERNEL_TRUNCATION {
LTRUNCATE = T
IDIMENSIONALITY = 2
FACTOR = 0.5
}
This corresponds to truncation along the surface normal (z-direction), keeping interactions within half of the cell length in z.
Related tags and articles
KERNEL_TRUNCATION/LTRUNCATE, KERNEL_TRUNCATION/IDIMENSIONALITY, KERNEL_TRUNCATION/LCOARSEN, KERNEL_TRUNCATION/IPAD, KERNEL_TRUNCATION/ISURFACE