5.48.1. xc.lda_xc_ksdt.Coefficients¶

class eminus.xc.lda_xc_ksdt.Coefficients(theta: float, omega: float, e1: float, e2: float, e3: float, e4: float, e5: float, d1: float, d2: float, d3: float, d4: float, d5: float, c1: float, c2: float, c3: float, b1: float, b2: float, b3: float, b4: float, 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]¶

Coefficients class to calculate temperature/theta dependent coefficients.

Reference: Phys. Rev. Lett. 112, 076403.

Attributes

`a`	Calculate a.
`a0`	Calculate a0.
`a1`
`a2`
`a3`
`a4`
`a5`
`a6`
`b`	Calculate b.
`b5`	Calculate b5.
`c`	Calculate c.
`d`	Calculate d.
`dadtheta`	Calculate da / dtheta.
`dbdtheta`	Calculate db / dtheta.
`dcdtheta`	Calculate dc / dtheta.
`dddtheta`	Calculate dd / dtheta.
`dedtheta`	Calculate de / dtheta.
`e`	Calculate e.
`theta`	Reduced temperature.
`omega`
`e1`
`e2`
`e3`
`e4`
`e5`
`d1`
`d2`
`d3`
`d4`
`d5`
`c1`
`c2`
`c3`
`b1`
`b2`
`b3`
`b4`

property a[source]¶: Calculate a.

property a0[source]¶: Calculate a0.

property b[source]¶: Calculate b.

property b5[source]¶: Calculate b5.

property c[source]¶: Calculate c.

property d[source]¶: Calculate d.

property dadtheta¶: Calculate da / dtheta.

property dbdtheta¶: Calculate db / dtheta.

property dcdtheta¶: Calculate dc / dtheta.

property dddtheta¶: Calculate dd / dtheta.

property dedtheta[source]¶: Calculate de / dtheta.

property e[source]¶: Calculate e.

theta: float¶: Reduced temperature.