COREL Subroutine
-
- KKRimp, core-electrons
- 77 statements
- Source File
subroutine COREL(NSRA, IPR, IP, RHOC, V, ECORE, LCORE, NCORE, DRDI, Z, QC, A, B, IS, NSPIN, NR, RMAX, IRMD)
Subroutine for core states
lmxc = lmaxcore = (0,1,2,...), .e.g, argon core : lmxc = 1 krypton core : lmxc = 2 kfg = configuration of core, e.g., argon core: 3300=3s,3p,0d krypton core: 4430=4s,4p,3d xenon core: 5540=5s,5p,4d
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NSRA | ||||
| integer | :: | IPR | ||||
| integer | :: | IP | ||||
| double precision | :: | RHOC(*) | ||||
| double precision | :: | V(*) | ||||
| double precision | :: | ECORE(*) | ||||
| integer | :: | LCORE(*) | ||||
| integer | :: | NCORE | ||||
| double precision | :: | DRDI(*) | ||||
| double precision | :: | Z | ||||
| double precision | :: | QC | ||||
| double precision | :: | A | ||||
| double precision | :: | B | ||||
| integer | :: | IS | ||||
| integer | :: | NSPIN | ||||
| integer | :: | NR | ||||
| double precision | :: | RMAX | ||||
| integer | :: | IRMD |