GGA_C_LYP
Lee, Yang & Parr [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 = 4.91800000E-002
Parameter a of LYP [Edit on GitHub]
- _B: real = 1.32000000E-001
Parameter b of LYP [Edit on GitHub]
- _C: real = 2.53300000E-001
Parameter c of LYP [Edit on GitHub]
- _D: real = 3.49000000E-001
Parameter d of LYP [Edit on GitHub]