APACO: Difference between revisions

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.

Revision as of 18:46, 12 December 2017 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 18:52, 12 December 2017 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
Line 1:		Line 1:
	{{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).