NPACO: Difference between revisions

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VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes the PC-function after {{TAG|NBLOCK}}×{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file.


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 14:30, 8 April 2014

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 Sections

APACO, PCDAT


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