GXCPT Subroutine
-
- xc-potential, KKRimp
- 338 statements
- Source File
subroutine GXCPT(IDSPR, RO, ZTA, AGR, AGRU, AGRD, G2R, G2RU, G2RD, GGGR, GGGRU, GGGRD, GRGRU, GRGRD, GZGR, XCPTU, XCPTD, XCED, VXLU, VXLD, VCLU, VCLD, XEDL, CEDL, VXGU, VXGD, VCGU, VCGD, XEDG, CEDG)
Exchange-correlation potential in ry. also total-energy
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | IDSPR | ||||
| double precision | :: | RO | ||||
| double precision | :: | ZTA | ||||
| double precision | :: | AGR | ||||
| double precision | :: | AGRU | ||||
| double precision | :: | AGRD | ||||
| double precision | :: | G2R | ||||
| double precision | :: | G2RU | ||||
| double precision | :: | G2RD | ||||
| double precision | :: | GGGR | ||||
| double precision | :: | GGGRU | ||||
| double precision | :: | GGGRD | ||||
| double precision | :: | GRGRU | ||||
| double precision | :: | GRGRD | ||||
| double precision | :: | GZGR | ||||
| double precision | :: | XCPTU | ||||
| double precision | :: | XCPTD | ||||
| double precision | :: | XCED | ||||
| double precision | :: | VXLU | ||||
| double precision | :: | VXLD | ||||
| double precision | :: | VCLU | ||||
| double precision | :: | VCLD | ||||
| double precision | :: | XEDL | ||||
| double precision | :: | CEDL | ||||
| double precision | :: | VXGU | ||||
| double precision | :: | VXGD | ||||
| double precision | :: | VCGU | ||||
| double precision | :: | VCGD | ||||
| double precision | :: | XEDG | ||||
| double precision | :: | CEDG |