Section REPLICA

• Specify coordinates and velocities (possibly) of the replica

• Section path: CP2K_INPUT / MOTION / BAND / REPLICA

• This section can be repeated and cannot be optional.

• Subsections

  • COORD
  • VELOCITY

• Keywords

  • COLLECTIVE
  • COORD_FILE_NAME

• Keyword descriptions

  COLLECTIVE
  	COLLECTIVE {REAL} .. {REAL}
  	Specifies the value of the collective variables used in the projected BAND method. The order of the values is the order of the COLLECTIVE section in the constraints/restraints section
  	This optional keyword cannot be repeated and it expects a list of reals.

  COORD_FILE_NAME
  	COORD_FILE_NAME <CHAR>
  	Name of the xyz file with coordinates (alternative to &COORD section)
  	This optional keyword cannot be repeated and it expects precisely one string.