Section PILE

• Controls the PI Langevin Equation thermostat. Needs the exact harmonic integrator

• Section path: CP2K_INPUT / MOTION / PINT / PILE

• This section cannot be repeated.

• This section cites the following reference: [Ceriotti2010]

• Subsections

  • RNG_INIT

• Keywords

  • LAMBDA
  • TAU

• Keyword descriptions

  LAMBDA
  	LAMBDA {Real}
  	Scaling of friction to mode coupling
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.41888433E-004
  	Default unit: [fs]

  TAU
  	TAU {Real}
  	Time constant for centroid motion. If zero or negative the centroid is not thermostated.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+004