APACO: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|APACO|[integer]|256}} Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å). ---- VASP evaluates the pai…') |
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{{TAGDEF|APACO|[ | {{TAGDEF|APACO|[real]|10}} | ||
Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å). | Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å). | ||
---- | ---- | ||
VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes | VASP evaluates the pair-correlation function each {{TAG|NBLOCK}} steps and writes it after {{TAG|NBLOCK}}×{{TAG|KBLOCK}} steps to the {{FILE|PCDAT}} file. | ||
== Related | == Related tags and articles == | ||
{{TAG|NPACO}}, | {{TAG|NPACO}}, | ||
{{TAG|NBLOCK}}, | {{TAG|NBLOCK}}, | ||
{{TAG|KBLOCK}}, | {{TAG|KBLOCK}}, | ||
{{FILE|PCDAT}} | {{FILE|PCDAT}} | ||
{{sc|APACO|Examples|Examples that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]] | [[Category:INCAR tag]][[Category:Molecular dynamics]] | ||