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]