APACO: Difference between revisions

Revision as of 08:21, 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 4: / Line 4: @@
 ----
-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 16: / Line 16: @@
 [[The_VASP_Manual|Contents]]
-[[Category:INCAR]][[Category:Molecular dynamics]]
+[[Category:INCAR tag]][[Category:Molecular dynamics]]