GRADRL Subroutine
-
- xc-potential, KKRimp
- 75 statements
- Source File
subroutine GRADRL(NSPIN, MESH, L1MAX, DX, RHOL, RV, DRDI, IPAN, IPAND, IRCUT, DRRL, DDRRL, DRRUL, DDRRUL, IRMD, LMPOTD)
gradient of rl with rl defined by charge density=sum(rl*ylm)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NSPIN | ||||
| integer | :: | MESH | ||||
| integer | :: | L1MAX | ||||
| double precision | :: | DX | ||||
| double precision | :: | RHOL(IRMD,2,LMPOTD) | ||||
| double precision | :: | RV(IRMD) | ||||
| double precision | :: | DRDI(IRMD) | ||||
| integer | :: | IPAN | ||||
| integer | :: | IPAND | ||||
| integer | :: | IRCUT(0:IPAND) | ||||
| double precision | :: | DRRL(IRMD,LMPOTD) | ||||
| double precision | :: | DDRRL(IRMD,LMPOTD) | ||||
| double precision | :: | DRRUL(IRMD,LMPOTD) | ||||
| double precision | :: | DDRRUL(IRMD,LMPOTD) | ||||
| integer | :: | IRMD | ||||
| integer | :: | LMPOTD |