GGA_XC_HCTH_120
HCTH/120 [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 = 5.14730000E-001
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = 6.92982000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = -2.47073000E+001
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = 2.31098000E+001
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = -1.13234000E+001
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = 4.89508000E-001
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = -2.60699000E-001
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = 4.32917000E-001
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = -1.99247000E+000
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 2.48531000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]
- _CX0: real = 1.09163000E+000
u^0 coefficient for exchange [Edit on GitHub]
- _CX1: real = -7.47215000E-001
u^1 coefficient for exchange [Edit on GitHub]
- _CX2: real = 5.07833000E+000
u^2 coefficient for exchange [Edit on GitHub]
- _CX3: real = -4.10746000E+000
u^3 coefficient for exchange [Edit on GitHub]
- _CX4: real = 1.17173000E+000
u^4 coefficient for exchange [Edit on GitHub]