GGA_C_TM_LYP

Takkar and McCarthy reparametrization [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _B

• _C

• _D

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 = 3.93000000E-002

Parameter a of LYP [Edit on GitHub]

_B: real = 2.10000000E-001

Parameter b of LYP [Edit on GitHub]

_C: real = 4.10000000E-001

Parameter c of LYP [Edit on GitHub]

_D: real = 1.50000000E-001

Parameter d of LYP [Edit on GitHub]