Section VELOCITY

• The velocities for simple systems or the centroid mode in PI runs, xyz format by default  [Edit on GitHub]

• 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.  [Edit on GitHub]
  	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.  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one word.
  	Default value: bohr*au_t^-1