NPACO: Difference between revisions

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

Latest revision as of 08:22, 8 April 2022

NPACO = [integer]
Default: NPACO = 256 

Description: NPACO sets the number of slots in the pair-correlation function written to PCDAT.


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 articles

APACO, NBLOCK, KBLOCK, PCDAT

Examples that use this tag