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]