GGA_X_SOGGA11

Second-order generalized gradient approximation 2011 [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A0
_A1
_A2
_A3
_A4
_A5
_B0
_B1
_B2
_B3
_B4
_B5
_KAPPA
_MU

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]