LCHARG: Difference between revisions
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By default for {{TAGDEF| | By default for {{TAGDEF|LCHARG|T}} 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}}}}}} | ||
Latest revision as of 11:10, 1 October 2025
LCHARG = [logical]
Default: LCHARG = .True.
Description: Determines whether the charge density is written.
By default for LCHARG = T 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 |