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]