Section MGGA_C_VSXC

• VSXC (correlation part)

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / TDDFPT / XC / XC_FUNCTIONAL / MGGA_C_VSXC

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _ALPHA_OS
  • _ALPHA_SS
  • _DAB0
  • _DAB1
  • _DAB2
  • _DAB3
  • _DAB4
  • _DAB5
  • _DSS0
  • _DSS1
  • _DSS2
  • _DSS3
  • _DSS4
  • _DSS5

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_C_VSXC {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

  _ALPHA_OS
  	_ALPHA_OS {Real}
  	opposite-spin alpha
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.04966000E-003

  _ALPHA_SS
  	_ALPHA_SS {Real}
  	same-spin alpha
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.15088000E-003

  _DAB0
  	_DAB0 {Real}
  	opposite-spin a parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.03501000E-001

  _DAB1
  	_DAB1 {Real}
  	opposite-spin b parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.69457400E-003

  _DAB2
  	_DAB2 {Real}
  	opposite-spin c parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.15276500E-002

  _DAB3
  	_DAB3 {Real}
  	opposite-spin d parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.39430800E-005

  _DAB4
  	_DAB4 {Real}
  	opposite-spin e parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.26942000E-003

  _DAB5
  	_DAB5 {Real}
  	opposite-spin f parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.29611800E-003

  _DSS0
  	_DSS0 {Real}
  	same-spin a parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.27091200E-001

  _DSS1
  	_DSS1 {Real}
  	same-spin b parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.22891500E-002

  _DSS2
  	_DSS2 {Real}
  	same-spin c parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.94240600E-002

  _DSS3
  	_DSS3 {Real}
  	same-spin d parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.13422200E-003

  _DSS4
  	_DSS4 {Real}
  	same-spin e parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.45155900E-003

  _DSS5
  	_DSS5 {Real}
  	same-spin f parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.57757500E-002