GGA_X_ITYH_PBE

Short-range recipe for PBE functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _KAPPA

• _MU

• _OMEGA

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]

_KAPPA: real = 8.04000000E-001

Asymptotic value of the enhancement function [Edit on GitHub]

_MU: real = 2.19514973E-001

Coefficient of the 2nd order expansion [Edit on GitHub]

_OMEGA: real = 3.30000000E-001

Range-separation parameter [Edit on GitHub]