GGA_X_FD_LB94

Functional derivative recovered from the stray LB94 potential [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _BETA

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]

_BETA: real = 5.00000000E-002

beta parameter [Edit on GitHub]