5.46.4. xc.lda_xc_gdsmfb.Zeta1Coeffs¶
- class eminus.xc.lda_xc_gdsmfb.Zeta1Coeffs(theta: float, a0: float = 0.610887, a1: float = 0.75, a2: float = 3.04363, a3: float = -0.09227, a4: float = 1.7035, a5: float = 8.31051, a6: float = 5.1105, omega: float = 1.2599210498948732, b1: float = 0.84987704, b2: float = 3.04033012073, b3: float = 0.0775730131248, b4: float = 7.57703592489, c1: float = 0.91126873, c2: float = -0.0307957123308, d1: float = 1.48658718, d2: float = 4.92684905511, d3: float = 0.0849387225179, d4: float = 8.3269821188, d5: float = 0.218864952126, e1: float = 0.27454097, e2: float = 0.400994856555, e3: float = 2.88773194962, e4: float = 6.33499237092, e5: float = 24.823008753)[source]¶
Coefficient class using the parameters for zeta=1.
Reference: Phys. Rev. Lett. 119, 135001.
Attributes
a
Calculate a.
a0
a1
a2
a3
a4
a5
a6
b
Calculate b.
b1
b2
b3
b4
b5
Calculate b5.
c
Calculate c.
c1
c2
d
Calculate d.
d1
d2
d3
d4
d5
dadtheta
Calculate da / dtheta.
dbdtheta
Calculate db / dtheta.
dcdtheta
Calculate dc / dtheta.
dddtheta
Calculate dd / dtheta.
dedtheta
Calculate de / dtheta.
e
Calculate e.
e1
e2
e3
e4
e5
omega
theta
Reduced temperature.