HYB_MGGA_X_M11
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 = -1.83999000E-001
a0 parameter [Edit on GitHub]
- _A1: real = -1.39046703E+001
a1 parameter [Edit on GitHub]
- _A10: real = -1.34714184E+001
a10 parameter [Edit on GitHub]
- _A11: real = 0.00000000E+000
a11 parameter [Edit on GitHub]
- _A2: real = 1.18206837E+001
a2 parameter [Edit on GitHub]
- _A3: real = 3.10098465E+001
a3 parameter [Edit on GitHub]
- _A4: real = -5.19625696E+001
a4 parameter [Edit on GitHub]
- _A5: real = 1.55750312E+001
a5 parameter [Edit on GitHub]
- _A6: real = -6.94775730E+000
a6 parameter [Edit on GitHub]
- _A7: real = -1.58465014E+002
a7 parameter [Edit on GitHub]
- _A8: real = -1.48447565E+000
a8 parameter [Edit on GitHub]
- _A9: real = 5.51042124E+001
a9 parameter [Edit on GitHub]
- _ALPHA: real = 1.00000000E+000
exact exchange [Edit on GitHub]
- _B0: real = 7.55999000E-001
b0 parameter [Edit on GitHub]
- _B1: real = 1.37137944E+001
b1 parameter [Edit on GitHub]
- _B10: real = 7.47980859E+000
b10 parameter [Edit on GitHub]
- _B11: real = 0.00000000E+000
b11 parameter [Edit on GitHub]
- _B2: real = -1.27998304E+001
b2 parameter [Edit on GitHub]
- _B3: real = -2.93428814E+001
b3 parameter [Edit on GitHub]
- _B4: real = 5.91075674E+001
b4 parameter [Edit on GitHub]
- _B5: real = -2.27604866E+001
b5 parameter [Edit on GitHub]
- _B6: real = -1.02769340E+001
b6 parameter [Edit on GitHub]
- _B7: real = 1.64752731E+002
b7 parameter [Edit on GitHub]
- _B8: real = 1.85349258E+001
b8 parameter [Edit on GitHub]
- _B9: real = -5.56825639E+001
b9 parameter [Edit on GitHub]
- _BETA: real = -5.72000000E-001
short-range exchange [Edit on GitHub]
- _OMEGA: real = 2.50000000E-001
range-separation [Edit on GitHub]