HYB_GGA_XC_B3LYP_MCM1

B3LYP-MCM1 [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_P1
_P2
_P3
_P4
_P5
_P6

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]

_P1: real = 1.00000000E+000: Scale factor for pure exchange [Edit on GitHub]

_P2: real = 1.98600000E-001: Fraction of exact exchange [Edit on GitHub]

_P3: real = 6.70900000E-001: Fraction of non-local exchange correction [Edit on GitHub]

_P4: real = 8.02900000E-001: Fraction of local exchange [Edit on GitHub]

_P5: real = 1.13830000E+000: Fraction of non-local correlation correction [Edit on GitHub]

_P6: real = 9.60400000E-001: Fraction of local correlation [Edit on GitHub]