APACO: Difference between revisions

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


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).

Revision as of 18:52, 12 December 2017

APACO = [real]
Default: APACO = 16 

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 the PC-function after NBLOCK×KBLOCK steps to the PCDAT file.

Related Tags and Sections

NPACO, NBLOCK, KBLOCK, PCDAT

Examples that use this tag


Contents