HYB_GGA_XC_SB98_2C

SB98 (2c) [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 = 9.34715000E-001

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

_COS1: real = 1.14105000E+000

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

_COS2: real = -5.33398000E+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 = -1.20163000E-001

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

_CSS1: real = 2.82332000E+000

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

_CSS2: real = -2.59412000E+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 = 7.90194000E-001

u^0 coefficient for exchange [Edit on GitHub]

_CX1: real = 4.00271000E-001

u^1 coefficient for exchange [Edit on GitHub]

_CX2: real = 8.32857000E-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 = 2.19847000E-001

coefficient for exact exchange [Edit on GitHub]