HYB_GGA_X_CAM_S12H

Swart 2012 range-separated hybrid GGA exchange [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _ALPHA

• _B

• _BETA

• _C

• _D

• _E

• _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]

_A: real = 1.02149642E+000

A parameter [Edit on GitHub]

_ALPHA: real = 3.58978450E-001

fraction of HF exchange [Edit on GitHub]

_B: real = 7.35503580E-001

B parameter [Edit on GitHub]

_BETA: real = -1.08978450E-001

fraction of SR exchange [Edit on GitHub]

_C: real = 8.25905000E-003

C parameter [Edit on GitHub]

_D: real = 2.35804000E-003

D parameter [Edit on GitHub]

_E: real = 6.54977000E-003

E parameter [Edit on GitHub]

_OMEGA: real = 4.85168910E-001

range-separation parameter [Edit on GitHub]