LDA_C_PW_RPA

Perdew & Wang (fit to the RPA energy) [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 = 8.24770000E-002

alpha10 [Edit on GitHub]

_ALPHA1_1: real = 3.53740000E-002

alpha11 [Edit on GitHub]

_ALPHA1_2: real = 2.88290000E-002

alpha12 [Edit on GitHub]

_A_0: real = 3.10910000E-002

a0 [Edit on GitHub]

_A_1: real = 1.55450000E-002

a1 [Edit on GitHub]

_A_2: real = 1.68870000E-002

a2 [Edit on GitHub]

_BETA1_0: real = 5.14860000E+000

beta10 [Edit on GitHub]

_BETA1_1: real = 6.48690000E+000

beta11 [Edit on GitHub]

_BETA1_2: real = 1.03570000E+001

beta12 [Edit on GitHub]

_BETA2_0: real = 1.64830000E+000

beta20 [Edit on GitHub]

_BETA2_1: real = 1.30830000E+000

beta21 [Edit on GitHub]

_BETA2_2: real = 3.62310000E+000

beta22 [Edit on GitHub]

_BETA3_0: real = 2.36470000E-001

beta30 [Edit on GitHub]

_BETA3_1: real = 1.51800000E-001

beta31 [Edit on GitHub]

_BETA3_2: real = 4.79900000E-001

beta32 [Edit on GitHub]

_BETA4_0: real = 2.06140000E-001

beta40 [Edit on GitHub]

_BETA4_1: real = 8.23490000E-002

beta41 [Edit on GitHub]

_BETA4_2: real = 1.22790000E-001

beta42 [Edit on GitHub]

_FZ20: real = 1.70992100E+000

fz20 [Edit on GitHub]

_PP_0: real = 7.50000000E-001

pp0 [Edit on GitHub]

_PP_1: real = 7.50000000E-001

pp1 [Edit on GitHub]

_PP_2: real = 1.00000000E+000

pp2 [Edit on GitHub]