GGA_X_SSB

Swart, Sola and Bickelhaupt [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _A

• _B

• _C

• _D

• _DELTA

• _E

• _F

• _U

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 = 1.07176900E+000

A, Constant s limit [Edit on GitHub]

_B: real = 1.37574000E-001

B in B s^2/(1 + C s^2) [Edit on GitHub]

_C: real = 1.87883000E-001

C in B s^2/(1 + C s^2) [Edit on GitHub]

_D: real = 1.37574000E-001

D in D s^2/(1 + E s^4) [Edit on GitHub]

_DELTA: real = 1.00000000E-001

delta, KT parameter [Edit on GitHub]

_E: real = 6.63531500E+000

E in D s^2/(1 + E s^4) [Edit on GitHub]

_F: real = 9.95010000E-001

F, prefactor for KT term [Edit on GitHub]

_U: real = -1.20564300E+000

u, reweighting of KT and SSB terms [Edit on GitHub]