MGGA_C_M05_2X

Minnesota M05-2X correlation functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _CAB0

• _CAB1

• _CAB2

• _CAB3

• _CAB4

• _CSS0

• _CSS1

• _CSS2

• _CSS3

• _CSS4

• _FERMI_D_CNST

• _GAMMA_AB

• _GAMMA_SS

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]

_CAB0: real = 1.00000000E+000

cab0 [Edit on GitHub]

_CAB1: real = 1.09297000E+000

cab1 [Edit on GitHub]

_CAB2: real = -3.79171000E+000

cab2 [Edit on GitHub]

_CAB3: real = 2.82810000E+000

cab3 [Edit on GitHub]

_CAB4: real = -1.05890900E+001

cab4 [Edit on GitHub]

_CSS0: real = 1.00000000E+000

css0 [Edit on GitHub]

_CSS1: real = -3.05430000E+000

css1 [Edit on GitHub]

_CSS2: real = 7.61854000E+000

css2 [Edit on GitHub]

_CSS3: real = 1.47665000E+000

css3 [Edit on GitHub]

_CSS4: real = -1.19236500E+001

css4 [Edit on GitHub]

_FERMI_D_CNST: real = 1.00000000E-010

Constant for the correction term similar to 10.1063/1.2800011 [Edit on GitHub]

_GAMMA_AB: real = 3.10000000E-003

gamma_ab [Edit on GitHub]

_GAMMA_SS: real = 6.00000000E-002

gamma_ss [Edit on GitHub]