@# KKRtags: VORONOI initialization potential core-electrons
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer | :: | NSPIN | ||||
integer | :: | IFILE | ||||
character(len=40) | :: | I13 | ||||
integer | :: | INS | ||||
integer | :: | NBEGIN | ||||
integer | :: | NATOMS | ||||
real(kind=8) | :: | ZATOM(NATYPD) | ||||
integer | :: | SITEAT(*) | ||||
integer | :: | KSHAPE | ||||
integer | :: | IDSHAPE(*) | ||||
real(kind=8) | :: | VOLUMECL(*) | ||||
integer | :: | LPOT | ||||
real(kind=8) | :: | AOUT_ALL(NATYPD) | ||||
real(kind=8) | :: | RWSCL(*) | ||||
real(kind=8) | :: | RMTCL(*) | ||||
real(kind=8) | :: | RMTCORE(*) | ||||
integer | :: | MESHN(NSHAPED) | ||||
real(kind=8) | :: | XRN(IRID,NSHAPED) | ||||
real(kind=8) | :: | DRN(IRID,NSHAPED) | ||||
real(kind=8) | :: | THETAS(IRID,IBMAXD,NSHAPED) | ||||
integer | :: | LMIFUN(IBMAXD,NSHAPED) | ||||
integer | :: | NFUN(NSHAPED) | ||||
integer | :: | IRWS(NATYPD) | ||||
integer | :: | IRNS(NATYPD) | ||||
real(kind=8) | :: | ALATNEW | ||||
real(kind=8) | :: | QBOUND | ||||
integer | :: | KXC | ||||
character(len=124) | :: | TXC(3) | ||||
real(kind=8) | :: | EFSET |