HYB_MGGA_X_M05_2X

Minnesota M05-2X hybrid exchange functional [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A0
_A1
_A10
_A11
_A2
_A3
_A4
_A5
_A6
_A7
_A8
_A9
_CSI_HF
_CX

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 = 1.00000000E+000: a0 parameter [Edit on GitHub]

_A1: real = -5.68330000E-001: a1 parameter [Edit on GitHub]

_A10: real = -1.32220500E+001: a10 parameter [Edit on GitHub]

_A11: real = 1.52369400E+001: a11 parameter [Edit on GitHub]

_A2: real = -1.30057000E+000: a2 parameter [Edit on GitHub]

_A3: real = 5.50070000E+000: a3 parameter [Edit on GitHub]

_A4: real = 9.06402000E+000: a4 parameter [Edit on GitHub]

_A5: real = -3.22107500E+001: a5 parameter [Edit on GitHub]

_A6: real = -2.37329800E+001: a6 parameter [Edit on GitHub]

_A7: real = 7.02299600E+001: a7 parameter [Edit on GitHub]

_A8: real = 2.98861400E+001: a8 parameter [Edit on GitHub]

_A9: real = -6.02577800E+001: a9 parameter [Edit on GitHub]

_CSI_HF: real = 4.40000000E-001: overall scaling for DFT part [Edit on GitHub]

_CX: real = 5.60000000E-001: fraction of exact exchange [Edit on GitHub]