MGGA_C_M06_2X

Minnesota M06-2X correlation functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA_AB

• _ALPHA_SS

• _CAB0

• _CAB1

• _CAB2

• _CAB3

• _CAB4

• _CSS0

• _CSS1

• _CSS2

• _CSS3

• _CSS4

• _DAB0

• _DAB1

• _DAB2

• _DAB3

• _DAB4

• _DAB5

• _DSS0

• _DSS1

• _DSS2

• _DSS3

• _DSS4

• _DSS5

• _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]

_ALPHA_AB: real = 3.04966000E-003

alpha_ab [Edit on GitHub]

_ALPHA_SS: real = 5.15088000E-003

alpha_ss [Edit on GitHub]

_CAB0: real = 8.83359600E-001

cab0 [Edit on GitHub]

_CAB1: real = 3.35797200E+001

cab1 [Edit on GitHub]

_CAB2: real = -7.04354800E+001

cab2 [Edit on GitHub]

_CAB3: real = 4.97827100E+001

cab3 [Edit on GitHub]

_CAB4: real = -1.85289100E+001

cab4 [Edit on GitHub]

_CSS0: real = 3.09785500E-001

css0 [Edit on GitHub]

_CSS1: real = -5.52864200E+000

css1 [Edit on GitHub]

_CSS2: real = 1.34742000E+001

css2 [Edit on GitHub]

_CSS3: real = -3.21362300E+001

css3 [Edit on GitHub]

_CSS4: real = 2.84674200E+001

css4 [Edit on GitHub]

_DAB0: real = 1.16640400E-001

dab0 [Edit on GitHub]

_DAB1: real = -9.12084700E-002

dab1 [Edit on GitHub]

_DAB2: real = -6.72618900E-002

dab2 [Edit on GitHub]

_DAB3: real = 6.72058000E-005

dab3 [Edit on GitHub]

_DAB4: real = 8.44801100E-004

dab4 [Edit on GitHub]

_DAB5: real = 0.00000000E+000

dab5 [Edit on GitHub]

_DSS0: real = 6.90214500E-001

dss0 [Edit on GitHub]

_DSS1: real = 9.84720400E-002

dss1 [Edit on GitHub]

_DSS2: real = 2.21479700E-001

dss2 [Edit on GitHub]

_DSS3: real = -1.96826400E-003

dss3 [Edit on GitHub]

_DSS4: real = -6.77547900E-003

dss4 [Edit on GitHub]

_DSS5: real = 0.00000000E+000

dss5 [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]