HYB_MGGA_X_M06

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 = 5.87794300E-001: _a0 parameter [Edit on GitHub]

_A1: real = -1.37177600E-001: _a1 parameter [Edit on GitHub]

_A10: real = 2.04374700E+001: _a10 parameter [Edit on GitHub]

_A11: real = 1.25650400E+001: _a11 parameter [Edit on GitHub]

_A2: real = 2.68236700E-001: _a2 parameter [Edit on GitHub]

_A3: real = -2.51589800E+000: _a3 parameter [Edit on GitHub]

_A4: real = -2.97889200E+000: _a4 parameter [Edit on GitHub]

_A5: real = 8.71067900E+000: _a5 parameter [Edit on GitHub]

_A6: real = 1.68819500E+001: _a6 parameter [Edit on GitHub]

_A7: real = -4.48972400E+000: _a7 parameter [Edit on GitHub]

_A8: real = -3.29998300E+001: _a8 parameter [Edit on GitHub]

_A9: real = -1.44905000E+001: _a9 parameter [Edit on GitHub]

_D0: real = 1.42205700E-001: _d0 parameter [Edit on GitHub]

_D1: real = 7.37031900E-004: _d1 parameter [Edit on GitHub]

_D2: real = -1.60137300E-002: _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 = 2.70000000E-001: Fraction of exact exchange [Edit on GitHub]