LDA_C_PW_MOD
Perdew & Wang (modified) [Edit on GitHub]
Keywords
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]