Section LANGEVIN

• Controls the set of parameters to run a Langevin MD

• Section path: CP2K_INPUT / MOTION / MD / LANGEVIN

• This section cannot be repeated and can be optional.

• This section cites the following reference: [Ricci2003]

• Subsections

  • none

• Keywords

  • GAMMA
  • NOISY_GAMMA
  • SHADOW_GAMMA

• Keyword descriptions

  GAMMA
  	GAMMA 0.001
  	Gamma parameter for the Langevin dynamics (LD)
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [fs^-1]

  NOISY_GAMMA
  	NOISY_GAMMA 4.0E-5
  	Imaginary Langevin Friction term for LD with noisy forces.
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [fs^-1]
  	Alias names for this keyword: NOISYGAMMA
  	This keyword cites the following reference: [Kuhne2007]

  SHADOW_GAMMA
  	SHADOW_GAMMA 0.001
  	Shadow Langevin Friction term for LD with noisy forces in order to adjust Noisy_Gamma.
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [fs^-1]
  	Alias names for this keyword: SHADOWGAMMA
  	This keyword cites the following reference: [Kuhne2007]