Section WILLIAMS

• This section specifies the input parameters for WILLIAMS potential type.Functional form: V(r) = A*EXP(-B*r) - C / r^6 .  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / FORCEFIELD / NONBONDED / WILLIAMS

• This section can be repeated.

• Subsections

  • none

• Keywords

  • A
  • ATOMS
  • B
  • C
  • RCUT
  • RMAX
  • RMIN

• Keyword descriptions

  A
  	A {Real}
  	Defines the A parameter of the Williams potential  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [K_e]

  ATOMS
  	ATOMS {Word} {Word}
  	Defines the atomic kind involved in the nonbond potential  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 2 words.

  B
  	B {Real}
  	Defines the B parameter of the Williams potential  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom^-1]

  C
  	C {Real}
  	Defines the C parameter of the Williams potential  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom^6*K_e]

  RCUT
  	RCUT {Real}
  	Defines the cutoff parameter of the Williams potential  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+001
  	Default unit: [angstrom]

  RMAX
  	RMAX {Real}
  	Defines the upper bound of the potential. If not set the range is the full range generate by the spline  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom]

  RMIN
  	RMIN {Real}
  	Defines the lower bound of the potential. If not set the range is the full range generate by the spline  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom]