Section VARIABLE

• Defines initial values for variables and their labels

• Section path: CP2K_INPUT / OPTIMIZE_INPUT / VARIABLE

• This section can be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • FIXED
  • LABEL
  • VALUE

• Keyword descriptions

  FIXED
  	FIXED
  	Is this variable fixed or should it be optimized.
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  LABEL
  	LABEL PRM01
  	The label used in the input file, i.e. ${LABEL} will be replaced by the VALUE specified.
  	This required keyword cannot be repeated and it expects precisely one word.

  VALUE
  	VALUE 0.0
  	Initial value of the variable
  	This required keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]