FINDIFF: Difference between revisions

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{{TAGDEF|FINDIFF|[integer]|1}}
{{TAGDEF|FINDIFF|[integer]|1}}


Description: The flag {{TAG|DIMER_DIST}} defines whether a forward ({{TAG|FINDIFF}}=1) or a central ({{TAG|FINDIFF}}=2) difference formula for the numerical differentiation to compute the curvature along the dimer direction is used in the {{TAG|Improved Dimer Method}}.
Description: Defines whether a forward ({{TAG|FINDIFF}}=1) or a central ({{TAG|FINDIFF}}=2) difference formula for the numerical differentiation to compute the curvature along the dimer direction is used in the [[Improved Dimer Method|improved dimer method]].


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== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|Improved Dimer Method}}
[[Improved Dimer Method|Improved dimer method]]


{{sc|FINDIFF|Examples|Examples that use this tag}}
{{sc|FINDIFF|Examples|Examples that use this tag}}
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[[Category:INCAR]][[Category: Transition States]][[Category:Improved dimer method]][[Category:Molecules]]
[[Category:INCAR tag]][[Category: Transition states]]

Latest revision as of 05:35, 12 November 2023

FINDIFF = [integer]
Default: FINDIFF = 1 

Description: Defines whether a forward (FINDIFF=1) or a central (FINDIFF=2) difference formula for the numerical differentiation to compute the curvature along the dimer direction is used in the improved dimer method.


Related tags and articles

Improved dimer method

Examples that use this tag