Section PAO_POTENTIAL

• Settings of the PAO potentials, which are atomic kind specific.

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / KIND / PAO_POTENTIAL

• This section can be repeated.

• Subsections

  • none

• Keywords

  • BETA
  • MAXL
  • MAX_PROJECTOR
  • WEIGHT

• Keyword descriptions

  BETA
  	BETA {Real}
  	Exponent of the Gaussian potential term.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  MAXL
  	MAXL {Integer}
  	Maximum angular moment of the potential (must be an even number).
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  MAX_PROJECTOR
  	MAX_PROJECTOR {Integer}
  	Maximum angular moment of the potential's projectors. Used only by the GTH parametrization
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 2

  WEIGHT
  	WEIGHT {Real}
  	Weight of Gaussian potential term.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000