HYB_GGA_X_S12H

Swart 2012 hybrid exchange [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _ALPHA

• _B

• _C

• _D

• _E

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]

_A: real = 1.02543951E+000

A parameter [Edit on GitHub]

_ALPHA: real = 2.50000000E-001

Fraction of exact exchange [Edit on GitHub]

_B: real = 7.31560490E-001

B parameter [Edit on GitHub]

_C: real = 7.61554000E-003

C parameter [Edit on GitHub]

_D: real = 2.11063000E-003

D parameter [Edit on GitHub]

_E: real = 6.04672000E-003

E parameter [Edit on GitHub]