GGA_X_MB88
Modified Becke 88 for proton transfer [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]
- _BETA: real = 1.10000000E-003
beta/X_FACTOR_C is the coefficient of the gradient expansion [Edit on GitHub]
- _GAMMA: real = 6.00000000E+000
gamma should be 6 to get the right asymptotics of Ex [Edit on GitHub]