ESPCB Subroutine
- B. Drittler
-
- KKRimp, total-energy
- 22 statements
- Source File
public subroutine ESPCB(ESPC, NSPIN, NATOM, corestate)
Uses
Attention : energy zero ---> electro static zero
Since input potential and single particle energies are using muffin tin zero as zero the energy shift is cancelled in the kinetic energy contribution!
Calculate the core contribution of the single particle energies l and spin dependent. Attention : here are the results of the subroutine corel (stored in the common block core) used. (see notes by B. Drittler)
modified for bandstructure code B. Drittler Jan 1990
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | ESPC(0:3,NSPIN,NATOM) | ||||
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| type(corestate_type) | :: | corestate(NATOM) |