5.48.4. xc.lda_xc_ksdt.Zeta1Coeffs¶
- class eminus.xc.lda_xc_ksdt.Zeta1Coeffs(theta: float, omega: float = 1.2599210498948732, e1: float = 0.153124, e2: float = 19.543945, e3: float = 43.400337, e4: float = 120.255145, e5: float = 15.662836, d1: float = 0.55133, d2: float = 180.213159, d3: float = 134.486231, d4: float = 103.861695, d5: float = 17.75071, c1: float = 0.84893, c2: float = 0.167952, c3: float = 0.08882, b1: float = 0.329001, b2: float = 111.598308, b3: float = 0.537053, b4: float = 105.086663, a1: float = 0.75, a2: float = 3.04363, a3: float = -0.09227, a4: float = 1.7035, a5: float = 8.31051, a6: float = 5.1105)[source]¶
Coefficient class using the parameters for zeta=1.
Reference: Phys. Rev. Lett. 112, 076403.
Attributes
a
Calculate a.
a0
Calculate a0.
a1
a2
a3
a4
a5
a6
b
Calculate b.
b1
b2
b3
b4
b5
Calculate b5.
c
Calculate c.
c1
c2
c3
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.