Jump to content

Requests for technical support from the VASP team should be posted in the VASP Forum.

KERNEL TRUNCATION/FACTOR: Difference between revisions

From VASP Wiki
No edit summary
Tag: Reverted
No edit summary
 
(One intermediate revision by one other user not shown)
Line 1: Line 1:
{{TAGDEF|KERNEL_TRUNCATION/FACTOR| real}}
{{TAGDEF|KERNEL_TRUNCATION/FACTOR| real}}
{{DEF|KERNEL_TRUNCATION/FACTOR|<math>\sqrt{3}</math>|if {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY|0}}|1|if {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY|2}}}}
{{DEF|KERNEL_TRUNCATION/FACTOR|$\sqrt{3}$|if {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY|0}}|1|if {{TAG|KERNEL_TRUNCATION/IDIMENSIONALITY|2}}}}
{{DISPLAYTITLE:KERNEL_TRUNCATION/FACTOR}}
{{DISPLAYTITLE:KERNEL_TRUNCATION/FACTOR}}
'''Description:'''   
'''Description:'''   
Line 7: Line 7:
----
----


{{TAG|KERNEL_TRUNCATION/FACTOR}} 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 {{TAG|ISURFACE}}).   
{{TAG|KERNEL_TRUNCATION/FACTOR}} 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 {{TAG|KERNEL_TRUNCATION/ISURFACE}}).   
{{NB|mind|
{{NB|mind|
*If{{TAG|KERNEL_TRUNCATION/LTRUNCATE|F}}, {{TAG|KERNEL_TRUNCATION/FACTOR}} is ignored.
*If{{TAG|KERNEL_TRUNCATION/LTRUNCATE|F}}, {{TAG|KERNEL_TRUNCATION/FACTOR}} is ignored.

Latest revision as of 12:33, 5 May 2026

KERNEL_TRUNCATION/FACTOR = real 

Default: KERNEL_TRUNCATION/FACTOR = $\sqrt{3}$ if KERNEL_TRUNCATION/IDIMENSIONALITY = 0
= 1 if KERNEL_TRUNCATION/IDIMENSIONALITY = 2

Description: Determines the spatial extent of the truncated Coulomb interaction relative to the computational cell dimension along the truncation direction.


KERNEL_TRUNCATION/FACTOR 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 KERNEL_TRUNCATION/ISURFACE).

Related tags and articles

KERNEL_TRUNCATION/LTRUNCATE, KERNEL_TRUNCATION/IDIMENSIONALITY, KERNEL_TRUNCATION/LCOARSEN, KERNEL_TRUNCATION/IPAD, KERNEL_TRUNCATION/ISURFACE