Section RESCALE_FORCES

• Section controlling the rescaling of forces. Useful when starting from quite bad geometries with unphysically large forces.

• Section path: CP2K_INPUT / FORCE_EVAL / RESCALE_FORCES

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • MAX_FORCE

• Keyword descriptions

  MAX_FORCE
  	MAX_FORCE {Real}
  	Specify the Maximum Values of the force. If the force of one atom exceed this value it's rescaled to the MAX_FORCE value.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.21648784E-002
  	Default unit: [bohr^-1*hartree]