MGGA_X_MODTPSS

Modified Tao, Perdew, Staroverov & Scuseria [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_B
_BLOC_A
_BLOC_B
_C
_E
_KAPPA
_MU

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 = 4.00000000E-001: b [Edit on GitHub]

_BLOC_A: real = 2.00000000E+000: BLOC_a [Edit on GitHub]

_BLOC_B: real = 0.00000000E+000: BLOC_b [Edit on GitHub]

_C: real = 1.38496000E+000: c [Edit on GitHub]

_E: real = 1.37000000E+000: e [Edit on GitHub]

_KAPPA: real = 8.04000000E-001: Asymptotic value of the enhancement function [Edit on GitHub]

_MU: real = 2.52000000E-001: Coefficient of the 2nd order expansion [Edit on GitHub]