Section THERMOSTAT

• Specify thermostat type and parameters controlling the thermostat.

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

• This section cannot be repeated and can be optional.

• Subsections

  • CSVR
  • GLE
  • NOSE
  • PRINT

• Keywords

  • TYPE

• Keyword descriptions

  TYPE
  	THERMOSTAT NOSE
  	Specify the thermostat used for the constant temperature ensembles.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: SAME_AS_PARTICLE
  	List of valid keywords: CSVR Uses the canonical sampling through velocity rescaling. NOSE Uses the Nose-Hoover thermostat. SAME_AS_PARTICLE Use the same kind of thermostat used for particles.