GGA_X_PW91

Perdew & Wang 91 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _ALPHA

• _B

• _C

• _D

• _EXPO

• _F

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]

_A: real = 1.96450000E-001

a parameter [Edit on GitHub]

_ALPHA: real = 1.00000000E+002

alpha parameter [Edit on GitHub]

_B: real = 7.79560000E+000

b parameter [Edit on GitHub]

_C: real = 2.74300000E-001

c parameter [Edit on GitHub]

_D: real = -1.50800000E-001

d parameter [Edit on GitHub]

_EXPO: real = 4.00000000E+000

exponent [Edit on GitHub]

_F: real = 4.00000000E-003

f parameter [Edit on GitHub]