MGGA_C_M06_SX

Minnesota M06-SX 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 = 1.63738167E-001

cab0 [Edit on GitHub]

_CAB1: real = -4.36481171E-001

cab1 [Edit on GitHub]

_CAB2: real = -1.90232628E+000

cab2 [Edit on GitHub]

_CAB3: real = -1.42432903E+000

cab3 [Edit on GitHub]

_CAB4: real = -9.05909137E-001

cab4 [Edit on GitHub]

_CSS0: real = 1.17575011E+000

css0 [Edit on GitHub]

_CSS1: real = 6.58083497E-001

css1 [Edit on GitHub]

_CSS2: real = -2.78913775E+000

css2 [Edit on GitHub]

_CSS3: real = -1.18597602E+000

css3 [Edit on GitHub]

_CSS4: real = 1.16439928E+000

css4 [Edit on GitHub]

_DAB0: real = 7.40594620E-001

dab0 [Edit on GitHub]

_DAB1: real = 1.23306511E-002

dab1 [Edit on GitHub]

_DAB2: real = -1.88253422E-002

dab2 [Edit on GitHub]

_DAB3: real = 0.00000000E+000

dab3 [Edit on GitHub]

_DAB4: real = 0.00000000E+000

dab4 [Edit on GitHub]

_DAB5: real = 4.87276242E-004

dab5 [Edit on GitHub]

_DSS0: real = 8.17322574E-002

dss0 [Edit on GitHub]

_DSS1: real = -2.88531086E-002

dss1 [Edit on GitHub]

_DSS2: real = 9.05917735E-002

dss2 [Edit on GitHub]

_DSS3: real = 0.00000000E+000

dss3 [Edit on GitHub]

_DSS4: real = 0.00000000E+000

dss4 [Edit on GitHub]

_DSS5: real = -4.86297499E-004

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]