Section NONBONDED

• This section specifies the input parameters for NON-BONDED interactions.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / QS / XTB / NONBONDED

• This section cannot be repeated.

• Subsections

  • GENPOT

• Keywords

  • DX
  • ERROR_LIMIT

• Keyword descriptions

  DX
  	DX {Real}
  	Parameter used for computing the derivative with the Ridders' method.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-001
  	Default unit: [bohr]

  ERROR_LIMIT
  	ERROR_LIMIT {Real}
  	Checks that the error in computing the derivative is not larger than the value set; in case error is larger a warning message is printed.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-012