NPACO: Difference between revisions

Latest revision as of 08:22, 8 April 2022

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.

Revision as of 14:10, 7 April 2022 (view source) Huebsch (talk \| contribs) No edit summary ← Older edit		Latest revision as of 08:22, 8 April 2022 (view source) Karsai (talk \| contribs) No edit summary
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	[[Category:INCAR]][[Category:Molecular dynamics]]		[[Category:INCAR tag]][[Category:Molecular dynamics]]