HYB_GGA_XC_CAM_QTP_02

CAM-B3LYP retuned using ionization potentials of water [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _AC

• _ALPHA

• _BETA

• _OMEGA

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]

_AC: real = 1.00000000E+000

Fraction of LYP correlation [Edit on GitHub]

_ALPHA: real = 1.00000000E+000

Fraction of Hartree-Fock exchange [Edit on GitHub]

_BETA: real = -7.20000000E-001

Fraction of short-range exact exchange [Edit on GitHub]

_OMEGA: real = 3.35000000E-001

Range separation parameter [Edit on GitHub]