Section METAVAR

• This section specify the nature of the collective variables.

• Section path: CP2K_INPUT / MOTION / FREE_ENERGY / METADYN / METAVAR

• This section can be repeated.

• Subsections

  • WALL

• Keywords

  • COLVAR
  • GAMMA
  • LAMBDA
  • MASS
  • SCALE

• Keyword descriptions

  COLVAR
  	COLVAR {Integer}
  	Specifies the colvar on which to apply metadynamics.
  	This keyword cannot be repeated and it expects precisely one integer.

  GAMMA
  	GAMMA {Real}
  	Specifies the friction term in Langevin integration of the collective variable in the extended lagrangian scheme.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [fs^-1]
  	This keyword cites the following reference: [VandenEijnden2006]

  LAMBDA
  	LAMBDA {Real}
  	Specifies the lambda parameter for the coupling of the collective variable with the system coordinates in the extended lagrangian scheme.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]

  MASS
  	MASS {Real}
  	Specifies the mass parameter of the collective variable in the extended lagrangian scheme.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [amu]

  SCALE
  	SCALE {Real}
  	Specifies the scale factor for the following collective variable. The history dependent term has the expression: WW * Sum_{j=1}^{nhills} Prod_{k=1}^{ncolvar} [EXP[-0.5*((ss-ss0(k,j))/SCALE(k))^2]], where ncolvar is the number of defined METAVAR and nhills is the number of spawned hills.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]
  	Alias names for this keyword: WIDTH