HYB_GGA_XC_SB98_1C

SB98 (1c) [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 = 9.39269000E-001

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

_COS1: real = 8.98121000E-001

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

_COS2: real = -4.91276000E+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 = 2.62077000E-001

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

_CSS1: real = 2.12576000E+000

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

_CSS2: real = -2.30465000E+000

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 = 8.10936000E-001

u^0 coefficient for exchange [Edit on GitHub]

_CX1: real = 4.96090000E-001

u^1 coefficient for exchange [Edit on GitHub]

_CX2: real = 7.72385000E-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 = 1.92416000E-001

coefficient for exact exchange [Edit on GitHub]