5.50.3. 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
aCalculate a.
a0Calculate a0.
a1a2a3a4a5a6bCalculate b.
b1b2b3b4b5Calculate b5.
cCalculate c.
c1c2c3dCalculate d.
d1d2d3d4d5dadthetaCalculate da / dtheta.
dbdthetaCalculate db / dtheta.
dcdthetaCalculate dc / dtheta.
dddthetaCalculate dd / dtheta.
dedthetaCalculate de / dtheta.
eCalculate e.
e1e2e3e4e5omegathetaReduced temperature.