MGGA_X_BLOC
functional with balanced localization [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]
- _B: real = 4.00000000E-001
b [Edit on GitHub]
- _BLOC_A: real = 4.00000000E+000
BLOC_a [Edit on GitHub]
- _BLOC_B: real = -3.30000000E+000
BLOC_b [Edit on GitHub]
- _C: real = 1.59096000E+000
c [Edit on GitHub]
- _E: real = 1.53700000E+000
e [Edit on GitHub]
- _KAPPA: real = 8.04000000E-001
Asymptotic value of the enhancement function [Edit on GitHub]
- _MU: real = 2.19510000E-001
Coefficient of the 2nd order expansion [Edit on GitHub]