HYB_GGA_XC_CASE21

CASE21: Constrained And Smoothed semi-Empirical 2021 functional [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_AX
_CC0
_CC1
_CC2
_CC3
_CC4
_CC5
_CC6
_CC7
_CC8
_CC9
_CX0
_CX1
_CX2
_CX3
_CX4
_CX5
_CX6
_CX7
_CX8
_CX9
_GAMMAC
_GAMMAX

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Activates the functional. [Edit on GitHub]

SCALE: real = 1.00000000E+000: Scales this functional [Edit on GitHub]

_AX: real = 2.50000000E-001: ax parameter [Edit on GitHub]

_CC0: real = 1.14597000E+000: cc0 parameter [Edit on GitHub]

_CC1: real = 9.98463000E-001: cc1 parameter [Edit on GitHub]

_CC2: real = 8.60252000E-001: cc2 parameter [Edit on GitHub]

_CC3: real = 7.30431000E-001: cc3 parameter [Edit on GitHub]

_CC4: real = 5.97762000E-001: cc4 parameter [Edit on GitHub]

_CC5: real = 4.57063000E-001: cc5 parameter [Edit on GitHub]

_CC6: real = 3.08760000E-001: cc6 parameter [Edit on GitHub]

_CC7: real = 1.55654000E-001: cc7 parameter [Edit on GitHub]

_CC8: real = 7.45555000E-005: cc8 parameter [Edit on GitHub]

_CC9: real = -1.55941600E-001: cc9 parameter [Edit on GitHub]

_CX0: real = 8.89402000E-001: cx0 parameter [Edit on GitHub]

_CX1: real = 9.97849000E-001: cx1 parameter [Edit on GitHub]

_CX2: real = 1.11912000E+000: cx2 parameter [Edit on GitHub]

_CX3: real = 1.24555000E+000: cx3 parameter [Edit on GitHub]

_CX4: real = 1.35175000E+000: cx4 parameter [Edit on GitHub]

_CX5: real = 1.44740000E+000: cx5 parameter [Edit on GitHub]

_CX6: real = 1.54252000E+000: cx6 parameter [Edit on GitHub]

_CX7: real = 1.63761000E+000: cx7 parameter [Edit on GitHub]

_CX8: real = 1.73269000E+000: cx8 parameter [Edit on GitHub]

_CX9: real = 1.82777000E+000: cx9 parameter [Edit on GitHub]

_GAMMAC: real = 1.49869874E+001: gammac parameter [Edit on GitHub]

_GAMMAX: real = 2.73028573E-001: gammax parameter [Edit on GitHub]