Finds total exchange-correlation energy and potential for a spherical electron density distribution.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | irel | |||
| integer, | intent(in) | :: | nr | |||
| integer, | intent(in) | :: | maxr | |||
| real(kind=dp), | intent(in) | :: | rmesh(nr) | |||
| integer, | intent(in) | :: | nSpin | |||
| real(kind=dp), | intent(in) | :: | Dens(maxr,nSpin) | |||
| real(kind=dp), | intent(out) | :: | Ex | |||
| real(kind=dp), | intent(out) | :: | Ec | |||
| real(kind=dp), | intent(out) | :: | Dx | |||
| real(kind=dp), | intent(out) | :: | Dc | |||
| real(kind=dp), | intent(out) | :: | Vxc(maxr,nSpin) |