HYB_MGGA_X_REVM06

Revised Minnesota M06 hybrid exchange functional [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A0
_A1
_A10
_A11
_A2
_A3
_A4
_A5
_A6
_A7
_A8
_A9
_D0
_D1
_D2
_D3
_D4
_D5
_X

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 = 6.51139401E-001: _a0 parameter [Edit on GitHub]

_A1: real = -1.21449776E-001: _a1 parameter [Edit on GitHub]

_A10: real = 9.88674925E-001: _a10 parameter [Edit on GitHub]

_A11: real = -4.24371413E+000: _a11 parameter [Edit on GitHub]

_A2: real = -1.36704114E-001: _a2 parameter [Edit on GitHub]

_A3: real = 3.98721855E-001: _a3 parameter [Edit on GitHub]

_A4: real = 6.05674136E-001: _a4 parameter [Edit on GitHub]

_A5: real = -2.37973866E+000: _a5 parameter [Edit on GitHub]

_A6: real = -1.49209835E+000: _a6 parameter [Edit on GitHub]

_A7: real = 3.03147342E+000: _a7 parameter [Edit on GitHub]

_A8: real = 5.14963711E-001: _a8 parameter [Edit on GitHub]

_A9: real = 2.63375191E+000: _a9 parameter [Edit on GitHub]

_D0: real = -5.52394014E-002: _d0 parameter [Edit on GitHub]

_D1: real = 0.00000000E+000: _d1 parameter [Edit on GitHub]

_D2: real = -3.78263123E-003: _d2 parameter [Edit on GitHub]

_D3: real = 0.00000000E+000: _d3 parameter [Edit on GitHub]

_D4: real = 0.00000000E+000: _d4 parameter [Edit on GitHub]

_D5: real = 0.00000000E+000: _d5 parameter [Edit on GitHub]

_X: real = 4.04100000E-001: Fraction of exact exchange [Edit on GitHub]