Section NOSE

• paramameters of the Nose Hoover thermostat chain

• Section path: CP2K_INPUT / MOTION / MD / BAROSTAT / THERMOSTAT / NOSE

• This section cannot be repeated.

• This section cites the following references: [NOSE1984] [NOSE1984b]

• Subsections

  • COORD
  • FORCE
  • MASS
  • VELOCITY

• Keywords

  • LENGTH
  • MTS
  • TIMECON
  • YOSHIDA

• Keyword descriptions

  LENGTH
  	LENGTH {Integer}
  	length of the Nose-Hoover chain
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 3

  MTS
  	MTS {Integer}
  	number of multiple timesteps to be used for the NoseHoover chain
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 2
  	Alias names for this keyword: MULTIPLE_TIME_STEPS, MULT_T_STEPS

  TIMECON
  	TIMECON {Real}
  	timeconstant of the thermostat chain
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+003
  	Default unit: [fs]

  YOSHIDA
  	YOSHIDA {Integer}
  	order of the yoshida integretor used for the thermostat
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 3