APACO: Difference between revisions

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[[The_VASP_Manual|Contents]]
[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Molecular Dynamics]]
[[Category:INCAR]][[Category:Molecular dynamics]]

Revision as of 13:51, 7 April 2022

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