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]