GGA_X_PW91_MOD
PW91, alternate version with more digits [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 = 1.00000000E+002
parameter of the exponential term [Edit on GitHub]
- _BT: real = 4.20000000E-003
a = 6 bt/X2S [Edit on GitHub]
- _EXPO: real = 4.00000000E+000
exponent of the power in the numerator [Edit on GitHub]