GGA_X_PW86

Perdew & Wang 86 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _AA

• _BB

• _CC

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]

_AA: real = 1.29600000E+000

Coefficient of s^2 term [Edit on GitHub]

_BB: real = 1.40000000E+001

Coefficient of s^4 term [Edit on GitHub]

_CC: real = 2.00000000E-001

Coefficient of s^6 term [Edit on GitHub]