Section MGGA_X_TAU_HCTH

• tau-HCTH from Boese and Handy  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / KG_METHOD / XC / XC_FUNCTIONAL / MGGA_X_TAU_HCTH

• This section cannot be repeated.

• Subsections

  • none

• Keywords

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

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_TAU_HCTH {Logical}
  	Activates the functional.  [Edit on GitHub]
  	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  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _CXL0
  	_CXL0 {Real}
  	Local exchange, u^0 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.10734000E+000

  _CXL1
  	_CXL1 {Real}
  	Local exchange, u^1 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.05340000E+000

  _CXL2
  	_CXL2 {Real}
  	Local exchange, u^2 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.34910000E+000

  _CXL3
  	_CXL3 {Real}
  	Local exchange, u^3 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.55310000E+000

  _CXNL0
  	_CXNL0 {Real}
  	Non-local exchange, u^0 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.10000000E-003

  _CXNL1
  	_CXNL1 {Real}
  	Non-local exchange, u^1 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.04100000E-001

  _CXNL2
  	_CXNL2 {Real}
  	Non-local exchange, u^2 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.95430000E+000

  _CXNL3
  	_CXNL3 {Real}
  	Non-local exchange, u^3 coefficient  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.23500000E-001