GGA_X_SOGGA11
Second-order generalized gradient approximation 2011 [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]
- _A0: real = 5.00000000E-001
a0 [Edit on GitHub]
- _A1: real = -2.95535000E+000
a1 [Edit on GitHub]
- _A2: real = 1.57974000E+001
a2 [Edit on GitHub]
- _A3: real = -9.11804000E+001
a3 [Edit on GitHub]
- _A4: real = 9.62030000E+001
a4 [Edit on GitHub]
- _A5: real = 1.86830000E-001
a5 [Edit on GitHub]
- _B0: real = 5.00000000E-001
b0 [Edit on GitHub]
- _B1: real = 3.50743000E+000
b1 [Edit on GitHub]
- _B2: real = -1.29523000E+001
b2 [Edit on GitHub]
- _B3: real = 4.97870000E+001
b3 [Edit on GitHub]
- _B4: real = -3.32545000E+001
b4 [Edit on GitHub]
- _B5: real = -1.11396000E+001
b5 [Edit on GitHub]
- _KAPPA: real = 5.52000000E-001
kappa [Edit on GitHub]
- _MU: real = 1.23456790E-001
mu [Edit on GitHub]