GGA_C_TM_PBE

Thakkar and McCarthy reparametrization [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_B
_BETA
_GAMMA

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]

_B: real = 1.00000000E+000: Multiplies the A t^2 term. Used in the SPBE functional [Edit on GitHub]

_BETA: real = -5.27280000E-002: beta constant [Edit on GitHub]

_GAMMA: real = -1.56000000E-002: (1 - ln(2))/Pi^2 in the PBE [Edit on GitHub]