APACO: Difference between revisions

Latest revision as of 08:25, 8 April 2022

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.

@@ Line 1: / Line 1: @@
-{{TAGDEF|APACO|[real]|16}}
+{{TAGDEF|APACO|[real]|10}}
 Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in &Aring;).
 ----
-VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes the PC-function after {{TAG|NBLOCK}}&times;{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file.
+VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes it after {{TAG|NBLOCK}}&times;{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file.
-== Related Tags and Sections ==
+== Related tags and articles ==
 {{TAG|NPACO}},
 {{TAG|NBLOCK}},
@@ Line 14: / Line 14: @@
 {{sc|APACO|Examples|Examples that use this tag}}
 ----
-[[The_VASP_Manual|Contents]]
-[[Category:INCAR]]
+[[Category:INCAR tag]][[Category:Molecular dynamics]]