PBE_HOLE_T_C_LR

PBE exchange hole model in trucanted coulomb potential [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• CUTOFF_RADIUS

• SCALE_X

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

CUTOFF_RADIUS: real = 5.29177209E-001

Defines cutoff for lower integration boundary [Edit on GitHub]

SCALE_X: real = 1.00000000E+000

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