LCHARG: Difference between revisions
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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| | {{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 |