HYB_MGGA_X_REVM11
Revised Minnesota M11 hybrid exchange functional [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]
- _A0: real = -3.28886089E-001
a0 parameter [Edit on GitHub]
- _A1: real = -8.38881505E+000
a1 parameter [Edit on GitHub]
- _A10: real = 0.00000000E+000
a10 parameter [Edit on GitHub]
- _A11: real = 0.00000000E+000
a11 parameter [Edit on GitHub]
- _A2: real = 7.12389106E-001
a2 parameter [Edit on GitHub]
- _A3: real = 3.61962130E+000
a3 parameter [Edit on GitHub]
- _A4: real = 4.39417082E+000
a4 parameter [Edit on GitHub]
- _A5: real = 5.04533456E+000
a5 parameter [Edit on GitHub]
- _A6: real = 7.86670612E+000
a6 parameter [Edit on GitHub]
- _A7: real = 0.00000000E+000
a7 parameter [Edit on GitHub]
- _A8: real = 0.00000000E+000
a8 parameter [Edit on GitHub]
- _A9: real = 0.00000000E+000
a9 parameter [Edit on GitHub]
- _ALPHA: real = 1.00000000E+000
exact exchange [Edit on GitHub]
- _B0: real = 1.10388609E+000
b0 parameter [Edit on GitHub]
- _B1: real = 8.04763696E+000
b1 parameter [Edit on GitHub]
- _B10: real = 0.00000000E+000
b10 parameter [Edit on GitHub]
- _B11: real = 0.00000000E+000
b11 parameter [Edit on GitHub]
- _B2: real = -7.35362477E-001
b2 parameter [Edit on GitHub]
- _B3: real = -2.47352755E+000
b3 parameter [Edit on GitHub]
- _B4: real = -4.73190604E+000
b4 parameter [Edit on GitHub]
- _B5: real = -5.85025021E+000
b5 parameter [Edit on GitHub]
- _B6: real = -7.50599753E+000
b6 parameter [Edit on GitHub]
- _B7: real = 0.00000000E+000
b7 parameter [Edit on GitHub]
- _B8: real = 0.00000000E+000
b8 parameter [Edit on GitHub]
- _B9: real = 0.00000000E+000
b9 parameter [Edit on GitHub]
- _BETA: real = -7.75000000E-001
short-range exchange [Edit on GitHub]
- _OMEGA: real = 4.00000000E-001
range-separation [Edit on GitHub]