HYB_MGGA_X_M05

Minnesota M05 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 = 8.15100000E-002

a1 parameter [Edit on GitHub]

_A10: real = 3.64802000E+000

a10 parameter [Edit on GitHub]

_A11: real = 3.40224800E+001

a11 parameter [Edit on GitHub]

_A2: real = -4.39560000E-001

a2 parameter [Edit on GitHub]

_A3: real = -3.22422000E+000

a3 parameter [Edit on GitHub]

_A4: real = 2.01819000E+000

a4 parameter [Edit on GitHub]

_A5: real = 8.79431000E+000

a5 parameter [Edit on GitHub]

_A6: real = -2.95000000E-003

a6 parameter [Edit on GitHub]

_A7: real = 9.82029000E+000

a7 parameter [Edit on GitHub]

_A8: real = -4.82351000E+000

a8 parameter [Edit on GitHub]

_A9: real = -4.81757400E+001

a9 parameter [Edit on GitHub]

_CSI_HF: real = 7.20000000E-001

overall scaling for DFT part [Edit on GitHub]

_CX: real = 2.80000000E-001

fraction of exact exchange [Edit on GitHub]