GGA_K_ERNZERHOF

Ernzerhof [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 = 1.35000000E+002

constant term in numerator [Edit on GitHub]

_A1: real = 4.60748620E-001

coefficient for x^2 in numerator [Edit on GitHub]

_A2: real = 1.35388578E-003

coefficient for x^4 in numerator [Edit on GitHub]

_A3: real = 0.00000000E+000

coefficient for x^6 in numerator [Edit on GitHub]

_A4: real = 0.00000000E+000

coefficient for x^8 in numerator [Edit on GitHub]

_B0: real = 1.35000000E+002

constant term in denominator [Edit on GitHub]

_B1: real = 4.93659235E-002

coefficient for x^2 in denominator [Edit on GitHub]

_B2: real = 0.00000000E+000

coefficient for x^4 in denominator [Edit on GitHub]

_B3: real = 0.00000000E+000

coefficient for x^6 in denominator [Edit on GitHub]

_B4: real = 0.00000000E+000

coefficient for x^8 in denominator [Edit on GitHub]