GGA_X_B86

Becke 86 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _BETA

• _GAMMA

• _OMEGA

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]

_BETA: real = 3.86878069E-003

Small x limit [Edit on GitHub]

_GAMMA: real = 4.00000000E-003

Parameter in the denominator [Edit on GitHub]

_OMEGA: real = 1.00000000E+000

Exponent of denominator [Edit on GitHub]