VARIABLE

Section can be repeated.

Defines initial values for variables and their labels [Edit on GitHub]

Keywords

• FIXED

• LABEL

• VALUE

Keyword descriptions

FIXED

Type: logical
Default: F
Lone keyword: T
Usage: FIXED

Description: Is this variable fixed or should it be optimized.

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LABEL

Type: string
Usage: LABEL PRM01

Description: The label used in the input file, i.e. ${LABEL} will be replaced by the VALUE specified.

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VALUE

Type: real
Default: [internal_cp2k]
Usage: VALUE 0.0

Description: Initial value of the variable

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