GGA_C_P86

Perdew 86 [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE

• _AA

• _BB

• _FTILDE

• _MALPHA

• _MBETA

• _MDELTA

• _MGAMMA

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]

_AA: real = 1.66700000E-003

linear parameter in eq 6 [Edit on GitHub]

_BB: real = 2.56800000E-003

constant in the numerator in eq 6 [Edit on GitHub]

_FTILDE: real = 1.91950000E-001

constant in eq 9 [Edit on GitHub]

_MALPHA: real = 2.32660000E-002

alpha in eq 6 [Edit on GitHub]

_MBETA: real = 7.38900000E-006

beta in eq 6 [Edit on GitHub]

_MDELTA: real = 4.72000000E-001

delta in eq 6 [Edit on GitHub]

_MGAMMA: real = 8.72300000E+000

gamma in eq 6 [Edit on GitHub]