mod_pnstmat Module
Subroutines
public subroutine PNSTMAT(DRDI, EK, ICST, PZ, QZ, FZ, SZ, PNS, TMATLL, VINS, IPAN, IRCUT, NSRA, CLEB, ICLEB, IEND, LOFLM, NCLEB, TMAT, LKONV, IDOLDAU, LOPT, LMLO, LMHI, WLDAU, WLDAUAV, CUTOFF, NRMAX, NRMIN_NS, LMAXATOM, MMAXATOM, LMMAXATOM, LMPOTATOM)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | DRDI(NRMAX) | ||||
| double complex | :: | EK | ||||
| integer | :: | ICST | ||||
| double complex | :: | PZ(NRMAX,0:LMAXATOM) | ||||
| double complex | :: | QZ(NRMAX,0:LMAXATOM) | ||||
| double complex | :: | FZ(NRMAX,0:LMAXATOM) | ||||
| double complex | :: | SZ(NRMAX,0:LMAXATOM) | ||||
| double complex | :: | PNS(LMMAXATOM,LMMAXATOM,NRMIN_NS:NRMAX,2) | ||||
| double complex | :: | TMATLL(LMMAXATOM,LMMAXATOM) | ||||
| double precision | :: | VINS(NRMIN_NS:NRMAX,LMPOTATOM) | ||||
| integer | :: | IPAN | ||||
| integer | :: | IRCUT(0:IPAN) | ||||
| integer | :: | NSRA | ||||
| double precision | :: | CLEB(NCLEB,2) | ||||
| integer | :: | ICLEB(NCLEB,4) | ||||
| integer | :: | IEND | ||||
| integer | :: | LOFLM(:) | ||||
| integer | :: | NCLEB | ||||
| double complex | :: | TMAT(0:LMAXATOM) | ||||
| integer | :: | LKONV | ||||
| integer | :: | IDOLDAU | ||||
| integer | :: | LOPT | ||||
| integer | :: | LMLO | ||||
| integer | :: | LMHI | ||||
| double precision | :: | WLDAU(MMAXATOM,MMAXATOM) | ||||
| double precision | :: | WLDAUAV | ||||
| double precision | :: | CUTOFF(NRMAX) | ||||
| integer | :: | NRMAX | ||||
| integer | :: | NRMIN_NS | ||||
| integer | :: | LMAXATOM | ||||
| integer | :: | MMAXATOM | ||||
| integer | :: | LMMAXATOM | ||||
| integer | :: | LMPOTATOM |