KBLOCK: Difference between revisions

From VASP Wiki
(Created page with '{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}} Description: After {{TAG|KBLOCK}}*{{TAG|NBLOCK}} main loops the averaged pair correlation function and DOS are written to the files {{TAG…')
 
No edit summary
 
(8 intermediate revisions by 5 users not shown)
Line 1: Line 1:
{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}}
{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}}


Description: After {{TAG|KBLOCK}}*{{TAG|NBLOCK}} main loops the averaged pair correlation function and DOS are written to the files {{TAG|PCDAT}}  and {{TAG|DOSCAR}}
Description: After <code>{{TAG|KBLOCK}} * {{TAG|NBLOCK}}</code> ionic steps the averaged pair-correlation function and DOS are written to the files {{FILE|PCDAT}}  and {{FILE|DOSCAR}}. More details can be found on the page describing the tag {{TAG|NBLOCK}}.
----
== Related tags and articles ==
{{TAG|NBLOCK}}, {{FILE|PCDAT}}, {{FILE|DOSCAR}}


== Related Tags and Sections ==
{{sc|KBLOCK|Examples|Examples that use this tag}}
{{TAG|NBLOCK}}
----


[[The_VASP_Manual|Contents]]
[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Performance]]
 
[[Category:INCAR]][[Category:Molecular Dynamics]]

Latest revision as of 13:06, 16 February 2024

KBLOCK = [integer]
Default: KBLOCK = NSW 

Description: After KBLOCK * NBLOCK ionic steps the averaged pair-correlation function and DOS are written to the files PCDAT and DOSCAR. More details can be found on the page describing the tag NBLOCK.


Related tags and articles

NBLOCK, PCDAT, DOSCAR

Examples that use this tag