HYB_GGA_XC_WHPBE0

Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _ALPHA

• _BETA

• _OMEGA

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]

_ALPHA: real = 5.00000000E-001

Fraction of Hartree-Fock exchange [Edit on GitHub]

_BETA: real = -2.50000000E-001

Fraction of short-range exact exchange [Edit on GitHub]

_OMEGA: real = 2.00000000E-001

Range separation constant [Edit on GitHub]