GGA_K_DK

DePristo and Kress [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A0
_A1
_A2
_A3
_A4
_B0
_B1
_B2
_B3
_B4

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 = 1.00000000E+000: constant term in numerator [Edit on GitHub]

_A1: real = 2.89491527E-003: coefficient for x^2 in numerator [Edit on GitHub]

_A2: real = 1.32613122E-004: coefficient for x^4 in numerator [Edit on GitHub]

_A3: real = -5.54039864E-007: coefficient for x^6 in numerator [Edit on GitHub]

_A4: real = 2.29777723E-009: coefficient for x^8 in numerator [Edit on GitHub]

_B0: real = 1.00000000E+000: constant term in denominator [Edit on GitHub]

_B1: real = -1.52363962E-004: coefficient for x^2 in denominator [Edit on GitHub]

_B2: real = 9.28407210E-005: coefficient for x^4 in denominator [Edit on GitHub]

_B3: real = 8.39862070E-008: coefficient for x^6 in denominator [Edit on GitHub]

_B4: real = 0.00000000E+000: coefficient for x^8 in denominator [Edit on GitHub]