APACO: Difference between revisions
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Molecular | [[Category:INCAR]][[Category:Molecular dynamics]] |
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Molecular | [[Category:INCAR]][[Category:Molecular dynamics]] |
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.