GGA_C_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

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 = -4.62334000E+000: a1 [Edit on GitHub]

_A2: real = 8.00410000E+000: a2 [Edit on GitHub]

_A3: real = -1.30226000E+002: a3 [Edit on GitHub]

_A4: real = 3.82685000E+001: a4 [Edit on GitHub]

_A5: real = 6.95599000E+001: a5 [Edit on GitHub]

_B0: real = 5.00000000E-001: b0 [Edit on GitHub]

_B1: real = 3.62334000E+000: b1 [Edit on GitHub]

_B2: real = 9.36393000E+000: b2 [Edit on GitHub]

_B3: real = 3.45114000E+001: b3 [Edit on GitHub]

_B4: real = -1.85684000E+001: b4 [Edit on GitHub]

_B5: real = -1.65190000E-001: b5 [Edit on GitHub]