KBLOCK: Difference between revisions

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{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}}
{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}}


Description: After {{TAG|KBLOCK}}*{{TAG|NBLOCK}} 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}}.
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}}.
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== Related tags and articles ==
== Related tags and articles ==

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