HYB_MGGA_XC_WB97M_V

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

Keywords

SECTION_PARAMETERS
SCALE
_ALPHA
_BETA
_COS00
_COS10
_COS20
_COS21
_COS60
_COS61
_CSS00
_CSS04
_CSS10
_CSS20
_CSS43
_CX00
_CX01
_CX10
_OMEGA

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]