Section COUPLING

• Coupling between two force_eval: E=(E1+E2 - sqrt((E1-E2)**2+4*H12**2))/2

• Section path: CP2K_INPUT / FORCE_EVAL / MIXED / COUPLING

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • COUPLING_PARAMETER

• Keyword descriptions

  COUPLING_PARAMETER
  	COUPLING_PARAMETER <REAL>
  	Coupling parameter H12 used in the coupling
  	This required keyword cannot be repeated and it expects precisely one real.