5.46.4. xc.lda_xc_gdsmfb.Zeta1Coeffs

class eminus.xc.lda_xc_gdsmfb.Zeta1Coeffs(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 = 1.2599210498948732, b1: float = 0.84987704, b2: float = 3.04033012073, b3: float = 0.0775730131248, b4: float = 7.57703592489, c1: float = 0.91126873, c2: float = -0.0307957123308, d1: float = 1.48658718, d2: float = 4.92684905511, d3: float = 0.0849387225179, d4: float = 8.3269821188, d5: float = 0.218864952126, e1: float = 0.27454097, e2: float = 0.400994856555, e3: float = 2.88773194962, e4: float = 6.33499237092, e5: float = 24.823008753)[source]

Coefficient class using the parameters for zeta=1.

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.