HYB_GGA_XC_SB98_2B

SB98 (2b) [Edit on GitHub]

Keywords

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]

_COS0: real = 9.65362000E-001

u^0 coefficient for opposite-spin correlation [Edit on GitHub]

_COS1: real = 8.63300000E-001

u^1 coefficient for opposite-spin correlation [Edit on GitHub]

_COS2: real = -4.61778000E+000

u^2 coefficient for opposite-spin correlation [Edit on GitHub]

_COS3: real = 0.00000000E+000

u^3 coefficient for opposite-spin correlation [Edit on GitHub]

_COS4: real = 0.00000000E+000

u^4 coefficient for opposite-spin correlation [Edit on GitHub]

_CSS0: real = 1.70473000E-001

u^0 coefficient for same-spin correlation [Edit on GitHub]

_CSS1: real = 1.24051000E+000

u^1 coefficient for same-spin correlation [Edit on GitHub]

_CSS2: real = -8.62711000E-001

u^2 coefficient for same-spin correlation [Edit on GitHub]

_CSS3: real = 0.00000000E+000

u^3 coefficient for same-spin correlation [Edit on GitHub]

_CSS4: real = 0.00000000E+000

u^4 coefficient for same-spin correlation [Edit on GitHub]

_CX0: real = 7.70587000E-001

u^0 coefficient for exchange [Edit on GitHub]

_CX1: real = 1.80767000E-001

u^1 coefficient for exchange [Edit on GitHub]

_CX2: real = 9.55246000E-001

u^2 coefficient for exchange [Edit on GitHub]

_CX3: real = 0.00000000E+000

u^3 coefficient for exchange [Edit on GitHub]

_CX4: real = 0.00000000E+000

u^4 coefficient for exchange [Edit on GitHub]

_CXX: real = 2.37978000E-001

coefficient for exact exchange [Edit on GitHub]