excgcor2 Subroutine
- K. Burke
-
- xc-potential, potential, KKRhost
- 11 statements
- Source File
public subroutine excgcor2(a, a1, b1, b2, b3, b4, rtrs, gg, ggrs)
Slimmed down version of GCOR used in PW91 routines, to interpolate LSD correlation energy as given by Eq. 10 of [a]
Note
[a] J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp) | :: | a | ||||
| real(kind=dp) | :: | a1 | ||||
| real(kind=dp) | :: | b1 | ||||
| real(kind=dp) | :: | b2 | ||||
| real(kind=dp) | :: | b3 | ||||
| real(kind=dp) | :: | b4 | ||||
| real(kind=dp) | :: | rtrs | ||||
| real(kind=dp) | :: | gg | ||||
| real(kind=dp) | :: | ggrs |