5.46.1. xc.lda_xc_gdsmfb.Coefficients¶

class eminus.xc.lda_xc_gdsmfb.Coefficients(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)[source]¶

Coefficients class to calculate temperature/theta dependent coefficients.

Reference: Phys. Rev. Lett. 119, 135001.

Attributes

`a`	Calculate a.
`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.

property a¶: Calculate a.

property b¶: Calculate b.

property b5¶: Calculate b5.

property c¶: Calculate c.

property d¶: Calculate d.

property dadtheta¶: Calculate da / dtheta.

property dbdtheta¶: Calculate db / dtheta.

property dcdtheta¶: Calculate dc / dtheta.

property dddtheta¶: Calculate dd / dtheta.

property dedtheta¶: Calculate de / dtheta.

property e¶: Calculate e.

theta: float¶: Reduced temperature.