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 and cannot be optional.

• Subsections

  • none

• Keywords

  • DEFAULT_KEYWORD
  • PINT_UNIT

• Keyword descriptions

  DEFAULT_KEYWORD
  	<REAL> <REAL> <REAL>
  	The atoms velocities in xyz format. The same order as the atom's order is assumed.
  	This required keyword can be repeated and it expects precisely 3 reals.

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