HYB_GGA_XC_HSE12

HSE12 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _BETA

• _OMEGA_HF

• _OMEGA_PBE

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 = 3.13000000E-001

Mixing parameter [Edit on GitHub]

_OMEGA_HF: real = 9.78977840E-002

Screening parameter for HF [Edit on GitHub]

_OMEGA_PBE: real = 9.78977840E-002

Screening parameter for PBE [Edit on GitHub]