HYB_GGA_XC_O3LYP
O3LYP [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]
- _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]