LDA_C_PW_MOD

Perdew & Wang (modified) [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA1[0]

• _ALPHA1[1]

• _ALPHA1[2]

• _A[0]

• _A[1]

• _A[2]

• _BETA1[0]

• _BETA1[1]

• _BETA1[2]

• _BETA2[0]

• _BETA2[1]

• _BETA2[2]

• _BETA3[0]

• _BETA3[1]

• _BETA3[2]

• _BETA4[0]

• _BETA4[1]

• _BETA4[2]

• _FZ20

• _PP[0]

• _PP[1]

• _PP[2]

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]

_ALPHA1_0: real = 2.13700000E-001

alpha10 [Edit on GitHub]

_ALPHA1_1: real = 2.05480000E-001

alpha11 [Edit on GitHub]

_ALPHA1_2: real = 1.11250000E-001

alpha12 [Edit on GitHub]

_A_0: real = 3.10907000E-002

a0 [Edit on GitHub]

_A_1: real = 1.55453500E-002

a1 [Edit on GitHub]

_A_2: real = 1.68869000E-002

a2 [Edit on GitHub]

_BETA1_0: real = 7.59570000E+000

beta10 [Edit on GitHub]

_BETA1_1: real = 1.41189000E+001

beta11 [Edit on GitHub]

_BETA1_2: real = 1.03570000E+001

beta12 [Edit on GitHub]

_BETA2_0: real = 3.58760000E+000

beta20 [Edit on GitHub]

_BETA2_1: real = 6.19770000E+000

beta21 [Edit on GitHub]

_BETA2_2: real = 3.62310000E+000

beta22 [Edit on GitHub]

_BETA3_0: real = 1.63820000E+000

beta30 [Edit on GitHub]

_BETA3_1: real = 3.36620000E+000

beta31 [Edit on GitHub]

_BETA3_2: real = 8.80260000E-001

beta32 [Edit on GitHub]

_BETA4_0: real = 4.92940000E-001

beta40 [Edit on GitHub]

_BETA4_1: real = 6.25170000E-001

beta41 [Edit on GitHub]

_BETA4_2: real = 4.96710000E-001

beta42 [Edit on GitHub]

_FZ20: real = 1.70992093E+000

fz20 [Edit on GitHub]

_PP_0: real = 1.00000000E+000

pp0 [Edit on GitHub]

_PP_1: real = 1.00000000E+000

pp1 [Edit on GitHub]

_PP_2: real = 1.00000000E+000

pp2 [Edit on GitHub]