Section QUADRUPOLE

• This section specifies that we will perform an SCF quadrupole calculation of the MM atoms. Needs KEYWORD POL_SCF in POISSON secton

• Section path: CP2K_INPUT / FORCE_EVAL / MM / FORCEFIELD / QUADRUPOLE

• This section can be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • ATOM
  • CPOL

• Keyword descriptions

  ATOM
  	ATOM {KIND1}
  	Defines the atomic kind of the scf quadrupole.
  	This required keyword cannot be repeated and it expects precisely one word.

  CPOL
  	CPOL {REAL}
  	Defines the isotropic polarizability of the MM atom.
  	This required keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]