MGGA_C_REVM06_L

Minnesota revM06-L 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 = 3.44360696E-001: cab0 [Edit on GitHub]

_CAB1: real = -5.57080242E-001: cab1 [Edit on GitHub]

_CAB2: real = -2.00982116E+000: cab2 [Edit on GitHub]

_CAB3: real = -1.85764189E+000: cab3 [Edit on GitHub]

_CAB4: real = -1.07663986E+000: cab4 [Edit on GitHub]

_CSS0: real = 1.22765975E+000: css0 [Edit on GitHub]

_CSS1: real = 8.55201283E-001: css1 [Edit on GitHub]

_CSS2: real = -3.11334668E+000: css2 [Edit on GitHub]

_CSS3: real = -2.23967803E+000: css3 [Edit on GitHub]

_CSS4: real = 3.54638962E-001: css4 [Edit on GitHub]

_DAB0: real = 4.00714600E-001: dab0 [Edit on GitHub]

_DAB1: real = 1.57965690E-002: dab1 [Edit on GitHub]

_DAB2: real = -3.26809840E-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 = 1.26013200E-003: dab5 [Edit on GitHub]

_DSS0: real = -5.38821292E-001: dss0 [Edit on GitHub]

_DSS1: real = -2.82960300E-002: dss1 [Edit on GitHub]

_DSS2: real = 2.38896960E-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 = -2.43790200E-003: 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]