5.48.4. xc.lda_xc_ksdt.Zeta1Coeffs

class eminus.xc.lda_xc_ksdt.Zeta1Coeffs(theta: float, omega: float = 1.2599210498948732, e1: float = 0.153124, e2: float = 19.543945, e3: float = 43.400337, e4: float = 120.255145, e5: float = 15.662836, d1: float = 0.55133, d2: float = 180.213159, d3: float = 134.486231, d4: float = 103.861695, d5: float = 17.75071, c1: float = 0.84893, c2: float = 0.167952, c3: float = 0.08882, b1: float = 0.329001, b2: float = 111.598308, b3: float = 0.537053, b4: float = 105.086663, 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. 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.