HYB_MGGA_X_M06_SX

Minnesota M06-SX short-range hybrid exchange functional [Edit on GitHub]

Keywords

SECTION_PARAMETERS
B3
SCALE
_A0
_A1
_A10
_A11
_A2
_A3
_A4
_A5
_A6
_A7
_A8
_A9
_B0
_B1
_B2
_B4
_B5
_BETA
_OMEGA

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Activates the functional. [Edit on GitHub]

B3: real = 0.00000000E+000: _d3 parameter [Edit on GitHub]

SCALE: real = 1.00000000E+000: Scales this functional [Edit on GitHub]

_A0: real = 9.96501680E-001: _a0 parameter [Edit on GitHub]

_A1: real = 3.01264934E-002: _a1 parameter [Edit on GitHub]

_A10: real = 5.19400019E-001: _a10 parameter [Edit on GitHub]

_A11: real = -9.65261553E-001: _a11 parameter [Edit on GitHub]

_A2: real = -1.03366758E-001: _a2 parameter [Edit on GitHub]

_A3: real = -1.55653063E-001: _a3 parameter [Edit on GitHub]

_A4: real = 7.95768051E-003: _a4 parameter [Edit on GitHub]

_A5: real = 8.71986277E-002: _a5 parameter [Edit on GitHub]

_A6: real = -8.16152626E-001: _a6 parameter [Edit on GitHub]

_A7: real = 6.72773007E-001: _a7 parameter [Edit on GitHub]

_A8: real = 5.21127186E-001: _a8 parameter [Edit on GitHub]

_A9: real = 3.99466945E-001: _a9 parameter [Edit on GitHub]

_B0: real = -3.47792307E-001: _d0 parameter [Edit on GitHub]

_B1: real = 0.00000000E+000: _d1 parameter [Edit on GitHub]

_B2: real = -2.70366787E-003: _d2 parameter [Edit on GitHub]

_B4: real = 0.00000000E+000: _d4 parameter [Edit on GitHub]

_B5: real = 0.00000000E+000: _d5 parameter [Edit on GitHub]

_BETA: real = 3.35000000E-001: Fraction of short-range exchange [Edit on GitHub]

_OMEGA: real = 1.00000000E-001: Range separation parameter [Edit on GitHub]