APACO

From VASP Wiki

APACO = [real]
Default: APACO = 10 

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 it after NBLOCK×KBLOCK steps to the PCDAT file.

Related tags and articles

NPACO, NBLOCK, KBLOCK, PCDAT

Examples that use this tag