LCHARG: Difference between revisions

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By default for {{TAGDEF|LCHARG|T}} the files {{FILE|CHGCAR}} and {{FILE|CHG}} are written.
For {{TAGDEF|LCHARG|T}} (default), the files {{FILE|CHGCAR}} and {{FILE|CHG}} are written.
If {{TAGDEF|LH5|T}}, the charge density is instead written to {{FILE|vaspwave.h5}}.  
If {{TAGDEF|LH5|T}}, the charge density is instead written to {{FILE|vaspwave.h5}}.  
{{NB|mind|For VASP version 6.0 to 6.4.2 the default for {{TAGDEF|LCHARG|.NOT.{{TAG|LH5}}}}}}
{{NB|mind|For VASP version 6.0 to 6.4.2 the default for {{TAGDEF|LCHARG|.NOT.{{TAG|LH5}}}}}}
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{{sc|LCHARG|Examples|Examples that use this tag}}
{{sc|LCHARG|Howto|Workflows that use this tag}}


[[Category:INCAR tag]][[Category:Charge density]]
[[Category:INCAR tag]][[Category:Charge density]]

Latest revision as of 10:27, 24 October 2025

LCHARG = [logical]
Default: LCHARG = .True. 

Description: Determines whether the charge density is written.


For LCHARG = T  (default), the files CHGCAR and CHG are written. If LH5 = T , the charge density is instead written to vaspwave.h5.

Mind: For VASP version 6.0 to 6.4.2 the default for LCHARG = .NOT.LH5 

Related tags and articles

LWAVE, LWAVEH5, LCHARGH5, LH5


Workflows that use this tag