GGA_X_DK87_R2

dePristo & Kress 87 version R2 [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_A1
_ALPHA
_B1

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]

_A1: real = 8.61213000E-001: a1 parameter [Edit on GitHub]

_ALPHA: real = 9.80000000E-001: alpha parameter [Edit on GitHub]

_B1: real = 4.20760000E-002: b1 parameter [Edit on GitHub]