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.