XWPBE

References: Heyd2004

Uses the short range PBE functional [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• OMEGA

• SCALE_X

• SCALE_X0

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

OMEGA: real = 1.00000000E+000

screening parameter [Edit on GitHub]

SCALE_X: real = 1.00000000E+000

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

SCALE_X0: real = 0.00000000E+000

scales the exchange part of the original hole PBE-functional [Edit on GitHub]