GGA_XC_HCTH_P76
HCTH p=7/6 [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]
- _COS0: real = 1.92949000E-001
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = -5.73335000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = 5.08757000E+001
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = -1.35475000E+002
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = 1.01268000E+002
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = -3.92143000E+000
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = -1.10098000E+000
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = -9.14050000E-002
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = -8.59723000E-001
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 2.07184000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]
- _CX0: real = 1.16525000E+000
u^0 coefficient for exchange [Edit on GitHub]
- _CX1: real = -5.83033000E-001
u^1 coefficient for exchange [Edit on GitHub]
- _CX2: real = 2.51769000E+000
u^2 coefficient for exchange [Edit on GitHub]
- _CX3: real = 3.81278000E+000
u^3 coefficient for exchange [Edit on GitHub]
- _CX4: real = -5.45906000E+000
u^4 coefficient for exchange [Edit on GitHub]