GGA_XC_HCTH_407
HCTH/407 [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 = 5.89076000E-001
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = 4.42374000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = -1.92218000E+001
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = 4.25721000E+001
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = -4.20052000E+001
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = 1.18777000E+000
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = -2.40292000E+000
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = 5.61741000E+000
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = -9.17923000E+000
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 6.24798000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]
- _CX0: real = 1.08184000E+000
u^0 coefficient for exchange [Edit on GitHub]
- _CX1: real = -5.18339000E-001
u^1 coefficient for exchange [Edit on GitHub]
- _CX2: real = 3.42562000E+000
u^2 coefficient for exchange [Edit on GitHub]
- _CX3: real = -2.62901000E+000
u^3 coefficient for exchange [Edit on GitHub]
- _CX4: real = 2.28855000E+000
u^4 coefficient for exchange [Edit on GitHub]