GGA_X_DK87_R1

dePristo & Kress 87 version R1 [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 = 8.61504000E-001

a1 parameter [Edit on GitHub]

_ALPHA: real = 1.00000000E+000

alpha parameter [Edit on GitHub]

_B1: real = 4.42860000E-002

b1 parameter [Edit on GitHub]