GGA_X_HJS_B97X
HJS screened exchange B97x version [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]
- _A0: real = 2.73550000E-003
a0 [Edit on GitHub]
- _A1: real = 4.32970000E-002
a1 [Edit on GitHub]
- _A2: real = -6.69379000E-002
a2 [Edit on GitHub]
- _A3: real = 6.99060000E-002
a3 [Edit on GitHub]
- _A4: real = -4.74635000E-002
a4 [Edit on GitHub]
- _A5: real = 1.53092000E-002
a5 [Edit on GitHub]
- _B0: real = 1.58279000E+001
b0 [Edit on GitHub]
- _B1: real = -2.68145000E+001
b1 [Edit on GitHub]
- _B2: real = 1.78127000E+001
b2 [Edit on GitHub]
- _B3: real = -5.98246000E+000
b3 [Edit on GitHub]
- _B4: real = 1.25408000E+000
b4 [Edit on GitHub]
- _B5: real = -2.70783000E-001
b5 [Edit on GitHub]
- _B6: real = 9.19536000E-002
b6 [Edit on GitHub]
- _B7: real = -1.40960000E-002
b7 [Edit on GitHub]
- _B8: real = 4.54660000E-003
b8 [Edit on GitHub]
- _OMEGA: real = 1.10000000E-001
omega [Edit on GitHub]