HYB_GGA_XC_X3LYP
X3LYP [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]
- _A0: real = 2.18000000E-001
fraction of HF exchange [Edit on GitHub]
- _AC: real = 8.71000000E-001
fraction of VWN correction [Edit on GitHub]
- _AX: real = 7.09000000E-001
fraction of XLYP gradient correction [Edit on GitHub]
- _AX1: real = 7.65000000E-001
weight of B88 enhancement in XLYP exchange [Edit on GitHub]
- _AX2: real = 2.35000000E-001
weight of PW91 enhancement in XLYP exchange [Edit on GitHub]