GGA_X_PBEINT

PBE for hybrid interfaces [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA

• _KAPPA

• _MUGE

• _MUPBE

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]

_ALPHA: real = 1.97000000E-001

defines the width of the interpolation [Edit on GitHub]

_KAPPA: real = 8.04000000E-001

Asymptotic value of the enhancement function [Edit on GitHub]

_MUGE: real = 1.23456790E-001

Limiting value for small s [Edit on GitHub]

_MUPBE: real = 2.19514973E-001

Limiting value for large s [Edit on GitHub]