MGGA_X_KTBM_GAP

KTBM learned exchange - GAP [Edit on GitHub]

Keywords

SECTION_PARAMETERS
A2B
A2T
AB
AT
B2B
B2T
BB
BT
CB
CT
SCALE
XB
XT

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Activates the functional. [Edit on GitHub]

A2B: real = 7.94789364E-002: a2b [Edit on GitHub]

A2T: real = -6.72327252E-003: a2t [Edit on GitHub]

AB: real = -1.74592010E-001: ab [Edit on GitHub]

AT: real = 4.35402079E-001: at [Edit on GitHub]

B2B: real = 2.99445235E-001: b2b [Edit on GitHub]

B2T: real = 1.28517524E-001: b2t [Edit on GitHub]

BB: real = 1.59921573E-001: bb [Edit on GitHub]

BT: real = 1.81093570E-001: bt [Edit on GitHub]

CB: real = 9.72386657E-001: cb [Edit on GitHub]

CT: real = 1.12214237E+000: ct [Edit on GitHub]

SCALE: real = 1.00000000E+000: Scales this functional [Edit on GitHub]

XB: real = 1.24027244E-002: xb [Edit on GitHub]

XT: real = 1.11067441E-001: xt [Edit on GitHub]