HYB_GGA_XC_O3LYP

O3LYP [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A
_B
_C
_CLYP

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]

_A: real = 1.16100000E-001: fraction of HF exchange [Edit on GitHub]

_B: real = 9.26200000E-001: fraction of LDA exchage [Edit on GitHub]

_C: real = 8.13300000E-001: fraction of OPTX gradient correction [Edit on GitHub]

_CLYP: real = 8.10000000E-001: fraction of LYP correlation [Edit on GitHub]