Section VELOCITY

• The velocities for simple systems or the centroid mode in PI runs, xyz format by default

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / VELOCITY

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • DEFAULT_KEYWORD
  • PINT_UNIT

• Keyword descriptions

  DEFAULT_KEYWORD
  	{Real} {Real} {Real}
  	The atomic velocities in the format: vx vy vz The same order as for the atomic coordinates is assumed.
  	This keyword can be repeated and it expects precisely 3 reals.

  PINT_UNIT
  	PINT_UNIT {Word}
  	Specify the units of measurement for the velocities (currently works only for the path integral code). All available CP2K units can be used.
  	This keyword cannot be repeated and it expects precisely one word.
  	Default value: bohr*au_t^-1