HYB_MGGA_XC_WB97M_V

wB97M-V exchange-correlation functional [Edit on GitHub]

Keywords

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: real = 1.00000000E+000

fraction of HF exchange [Edit on GitHub]

_BETA: real = -8.50000000E-001

fraction of short-range exchange [Edit on GitHub]

_COS00: real = 1.00000000E+000

u^00 coefficient for opposite-spin correlation [Edit on GitHub]

_COS10: real = 1.35800000E+000

u^10 coefficient for opposite-spin correlation [Edit on GitHub]

_COS20: real = 2.92400000E+000

u^20 coefficient for opposite-spin correlation [Edit on GitHub]

_COS21: real = -8.81200000E+000

u^21 coefficient for opposite-spin correlation [Edit on GitHub]

_COS60: real = -1.39000000E+000

u^60 coefficient for opposite-spin correlation [Edit on GitHub]

_COS61: real = 9.14200000E+000

u^61 coefficient for opposite-spin correlation [Edit on GitHub]

_CSS00: real = 4.43000000E-001

u^00 coefficient for same-spin correlation [Edit on GitHub]

_CSS04: real = -1.43700000E+000

u^04 coefficient for same-spin correlation [Edit on GitHub]

_CSS10: real = -4.53500000E+000

u^10 coefficient for same-spin correlation [Edit on GitHub]

_CSS20: real = -3.39000000E+000

u^20 coefficient for same-spin correlation [Edit on GitHub]

_CSS43: real = 4.27800000E+000

u^43 coefficient for same-spin correlation [Edit on GitHub]

_CX00: real = 8.50000000E-001

u^00 coefficient for exchange [Edit on GitHub]

_CX01: real = 1.00700000E+000

u^01 coefficient for exchange [Edit on GitHub]

_CX10: real = 2.59000000E-001

u^10 coefficient for exchange [Edit on GitHub]

_OMEGA: real = 3.00000000E-001

range-separation constant [Edit on GitHub]