NPACO: Difference between revisions

Revision as of 17:36, 3 March 2019

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.

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

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