HYB_GGA_XC_B3LYP_MCM2

B3LYP-MCM2 [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 = 2.22800000E-001

Fraction of exact exchange [Edit on GitHub]

_P3: real = 7.29000000E-001

Fraction of non-local exchange correction [Edit on GitHub]

_P4: real = 8.08000000E-001

Fraction of local exchange [Edit on GitHub]

_P5: real = 9.42100000E-001

Fraction of non-local correlation correction [Edit on GitHub]

_P6: real = 9.58900000E-001

Fraction of local correlation [Edit on GitHub]