HYB_GGA_XC_B97_1P
version of B97 by Cohen and Handy [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 = 9.25300000E-001
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = 2.02700000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = -7.34310000E+000
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = 0.00000000E+000
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = 0.00000000E+000
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = 2.22800000E-001
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = 1.36780000E+000
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = -1.50680000E+000
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = 0.00000000E+000
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 0.00000000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]
- _CX0: real = 8.77300000E-001
u^0 coefficient for exchange [Edit on GitHub]
- _CX1: real = 2.14900000E-001
u^1 coefficient for exchange [Edit on GitHub]
- _CX2: real = 1.52040000E+000
u^2 coefficient for exchange [Edit on GitHub]
- _CX3: real = 0.00000000E+000
u^3 coefficient for exchange [Edit on GitHub]
- _CX4: real = 0.00000000E+000
u^4 coefficient for exchange [Edit on GitHub]
- _CXX: real = 1.50000000E-001
coefficient for exact exchange [Edit on GitHub]