HYB_MGGA_X_M06_SX

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

Keywords

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]