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.