GGA_X_HJS_B97X

HJS screened exchange B97x version [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A0
_A1
_A2
_A3
_A4
_A5
_B0
_B1
_B2
_B3
_B4
_B5
_B6
_B7
_B8
_OMEGA

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]