5.46.3. xc.lda_xc_gdsmfb.Zeta0Coeffs¶
- class eminus.xc.lda_xc_gdsmfb.Zeta0Coeffs(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, b1: float = 0.3436902, b2: float = 7.82159531356, b3: float = 0.300483986662, b4: float = 15.8443467125, c1: float = 0.8759442, c2: float = -0.230130843551, d1: float = 0.72700876, d2: float = 2.38264734144, d3: float = 0.30221237251, d4: float = 4.39347718395, d5: float = 0.729951339845, e1: float = 0.25388214, e2: float = 0.815795138599, e3: float = 0.0646844410481, e4: float = 15.0984620477, e5: float = 0.230761357474)[source]¶
Coefficient class using the parameters for zeta=0.
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.