Section HYB_MGGA_X_TAU_HCTH

• Hybrid version of tau-HCTH

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _AX
  • _CXL0
  • _CXL1
  • _CXL2
  • _CXL3
  • _CXNL0
  • _CXNL1
  • _CXNL2
  • _CXNL3

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_X_TAU_HCTH {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.

  SCALE
  	SCALE {Real}
  	Scales this functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _AX
  	_AX {Real}
  	Fraction of exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.50000000E-001

  _CXL0
  	_CXL0 {Real}
  	Local exchange, u^0 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.67350000E-001

  _CXL1
  	_CXL1 {Real}
  	Local exchange, u^1 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.00800000E-001

  _CXL2
  	_CXL2 {Real}
  	Local exchange, u^2 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.22080000E+000

  _CXL3
  	_CXL3 {Real}
  	Local exchange, u^3 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.57400000E-001

  _CXNL0
  	_CXNL0 {Real}
  	Non-local exchange, u^0 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.30000000E-003

  _CXNL1
  	_CXNL1 {Real}
  	Non-local exchange, u^1 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.84900000E-001

  _CXNL2
  	_CXNL2 {Real}
  	Non-local exchange, u^2 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.41460000E+000

  _CXNL3
  	_CXNL3 {Real}
  	Non-local exchange, u^3 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.09090000E+001