OPTX

Uses the OPTX functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• A1

• A2

• GAMMA

• SCALE_X

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

A1: real = 1.05151000E+000

OPTX a1 coefficient [Edit on GitHub]

A2: real = 1.43169000E+000

OPTX a2 coefficient [Edit on GitHub]

GAMMA: real = 6.00000000E-003

OPTX gamma coefficient [Edit on GitHub]

SCALE_X: real = 1.00000000E+000

scales the exchange part of the functional [Edit on GitHub]