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 and cannot be optional.

• Subsections

  • WALL

• Keywords

  • COLVAR
  • GAMMA
  • LAMBDA
  • MASS
  • SCALE

• Keyword descriptions

  COLVAR
  	COLVAR {INTEGER}
  	Specifies the colvar on which to apply metadynamics.
  	This optional 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 optional 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 of the collective variable in the extended lagrangian scheme.
  	This optional 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 optional 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 optional keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]
  	Alias names for this keyword: WIDTH