5.48.3. xc.lda_xc_ksdt.Zeta0Coeffs¶
- class eminus.xc.lda_xc_ksdt.Zeta0Coeffs(theta: float, omega: float = 1, e1: float = 0.212036, e2: float = 16.731249, e3: float = 28.485792, e4: float = 34.028876, e5: float = 17.235515, d1: float = 0.579824, d2: float = 94.537454, d3: float = 97.839603, d4: float = 59.939999, d5: float = 24.388037, c1: float = 0.870089, c2: float = 0.193077, c3: float = 2.414644, b1: float = 0.283997, b2: float = 48.932154, b3: float = 0.370919, b4: float = 61.095357, 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. 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.