GGA_X_PBEINT
PBE for hybrid interfaces [Edit on GitHub]
Keywords
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]