5.46.1. xc.lda_xc_corr_ksdt.Zeta0Coeffs¶
- class eminus.xc.lda_xc_corr_ksdt.Zeta0Coeffs(theta: float, omega: float = 1, e1: float = 0.255415, e2: float = 0.931933, e3: float = 0.115398, e4: float = 17.234117, e5: float = 0.451437, d1: float = 0.725917, d2: float = 2.237347, d3: float = 0.280748, d4: float = 4.185911, d5: float = 0.692183, c1: float = 0.87513, c2: float = -0.25632, c3: float = 0.953988, b1: float = 0.342554, b2: float = 9.141315, b3: float = 0.448483, b4: float = 18.553096, 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=0.
Reference: Phys. Rev. Lett. 120, 076401.
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.