Section PBE_HOLE_T_C_LR

• PBE exchange hole model in trucanted coulomb potential

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / PBE_HOLE_T_C_LR

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • CUTOFF_RADIUS
  • SCALE_X

• Keyword descriptions

  SECTION_PARAMETERS
  	&PBE_HOLE_T_C_LR {Logical}
  	activates the functional
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  CUTOFF_RADIUS
  	CUTOFF_RADIUS {Real}
  	Defines cutoff for lower integration boundary
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.29177209E-001
  	Default unit: [angstrom]

  SCALE_X
  	SCALE_X {Real}
  	scales the exchange part of the functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000