MGGA_X_RTPSS

TPSS for surface adsorption [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _B

• _C

• _E

• _KAPPA

• _MU

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]

_B: real = 4.00000000E-001

b [Edit on GitHub]

_C: real = 1.59096000E+000

c [Edit on GitHub]

_E: real = 1.53700000E+000

e [Edit on GitHub]

_KAPPA: real = 8.04000000E-001

Asymptotic value of the enhancement function [Edit on GitHub]

_MU: real = 2.19510000E-001

Coefficient of the 2nd order expansion [Edit on GitHub]