5.49.3. xc.lda_xc_gdsmfb.Zeta1Coeffs¶
- class eminus.xc.lda_xc_gdsmfb.Zeta1Coeffs(theta: float, omega: float = 1.2599210498948732, e1: float = 0.27454097, e2: float = 0.400994856555, e3: float = 2.88773194962, e4: float = 6.33499237092, e5: float = 24.823008753, d1: float = 1.48658718, d2: float = 4.92684905511, d3: float = 0.0849387225179, d4: float = 8.3269821188, d5: float = 0.218864952126, c1: float = 0.91126873, c2: float = -0.0307957123308, c3: float = 1, b1: float = 0.84987704, b2: float = 3.04033012073, b3: float = 0.0775730131248, b4: float = 7.57703592489, 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. 119, 135001.
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.