APACO: Difference between revisions

Revision as of 18:46, 12 December 2017

APACO = [integer]
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.

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	{{TAGDEF\|APACO\|[integer]\|~~256~~}}		{{TAGDEF\|APACO\|[integer]\|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).