HYB_GGA_XC_RELPBE0

relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _CBETAPBE

• _CX

• _SCALGGAC

• _SCALLDAC

• _XKAPPA

• _XMUEPBE

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]

_CBETAPBE: real = 6.79124948E-002

PBE correlation beta [Edit on GitHub]

_CX: real = 2.31186549E-001

Fraction of HF exchange [Edit on GitHub]

_SCALGGAC: real = 3.90518221E-001

GGA correlation scaling [Edit on GitHub]

_SCALLDAC: real = 6.09481779E-001

LDA correlation scaling [Edit on GitHub]

_XKAPPA: real = 1.00900884E+000

PBE exchange kappa [Edit on GitHub]

_XMUEPBE: real = 4.10224217E-002

PBE exchange mu [Edit on GitHub]