APACO: Difference between revisions

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{{TAGDEF|APACO|[integer]|16}}
{{TAGDEF|APACO|[real]|10}}


Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å).
Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å).


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VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes the PC-function after {{TAG|NBLOCK}}×{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file.
VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes it after {{TAG|NBLOCK}}×{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|NPACO}},
{{TAG|NPACO}},
{{TAG|NBLOCK}},
{{TAG|NBLOCK}},
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{{sc|APACO|Examples|Examples that use this tag}}
{{sc|APACO|Examples|Examples that use this tag}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
[[Category:INCAR tag]][[Category:Molecular dynamics]]

Latest revision as of 08:25, 8 April 2022

APACO = [real]
Default: APACO = 10 

Description: APACO sets the maximum distance in the evaluation of the pair-correlation function (in Å).


VASP evaluates the pair-correlation function each NBLOCK steps and writes it after NBLOCK×KBLOCK steps to the PCDAT file.

Related tags and articles

NPACO, NBLOCK, KBLOCK, PCDAT

Examples that use this tag