subroutine READINPUT(BRAVAIS, LCARTESIAN, RBASIS, ABASIS, BBASIS, CBASIS, DX, DY, DZ, ALATC, BLATC, CLATC, IRNS, NAEZ, NVAC, NEMB, KAOEZ, IRM, ZAT, SITEAT, INS, KSHAPE, LMAX, LMMAX, LPOT, NATYP, NSPIN, NMIN, NRAD, NSMALL, TOLHS, TOLVDIST, TOLAREA, KXC, TXC, I13, NLBASIS, NRBASIS, NLEFT, NRIGHT, ZPERLEFT, ZPERIGHT, TLEFT, TRIGHT, LINTERFACE, RCUTZ, RCUTXY, RMTCORE, LMTREF, RMTREF, SIZEFAC, NFACELIM, EFSET, AOUT_ALL, NPOI)
@# KKRtags: VORONOI input-output
Arguments
| Type |
Intent | Optional | Attributes |
|
Name |
|
|
real(kind=8)
|
|
|
|
:: |
BRAVAIS(3,3) |
|
|
logical
|
|
|
|
:: |
LCARTESIAN |
|
|
real(kind=8)
|
|
|
|
:: |
RBASIS(3,*) |
|
|
real(kind=8)
|
|
|
|
:: |
ABASIS |
|
|
real(kind=8)
|
|
|
|
:: |
BBASIS |
|
|
real(kind=8)
|
|
|
|
:: |
CBASIS |
|
|
real(kind=8)
|
|
|
|
:: |
DX(*) |
|
|
real(kind=8)
|
|
|
|
:: |
DY(*) |
|
|
real(kind=8)
|
|
|
|
:: |
DZ(*) |
|
|
real(kind=8)
|
|
|
|
:: |
ALATC |
|
|
real(kind=8)
|
|
|
|
:: |
BLATC |
|
|
real(kind=8)
|
|
|
|
:: |
CLATC |
|
|
integer
|
|
|
|
:: |
IRNS(*) |
|
|
integer
|
|
|
|
:: |
NAEZ |
|
|
integer
|
|
|
|
:: |
NVAC |
|
|
integer
|
|
|
|
:: |
NEMB |
|
|
integer
|
|
|
|
:: |
KAOEZ(*) |
|
|
integer
|
|
|
|
:: |
IRM |
|
|
real(kind=8)
|
|
|
|
:: |
ZAT(*) |
|
|
integer
|
|
|
|
:: |
SITEAT(NATYPD) |
|
|
integer
|
|
|
|
:: |
INS |
|
|
integer
|
|
|
|
:: |
KSHAPE |
|
|
integer
|
|
|
|
:: |
LMAX |
|
|
integer
|
|
|
|
:: |
LMMAX |
|
|
integer
|
|
|
|
:: |
LPOT |
|
|
integer
|
|
|
|
:: |
NATYP |
|
|
integer
|
|
|
|
:: |
NSPIN |
|
|
integer
|
|
|
|
:: |
NMIN |
|
|
integer
|
|
|
|
:: |
NRAD |
|
|
integer
|
|
|
|
:: |
NSMALL |
|
|
real(kind=8)
|
|
|
|
:: |
TOLHS |
|
|
real(kind=8)
|
|
|
|
:: |
TOLVDIST |
|
|
real(kind=8)
|
|
|
|
:: |
TOLAREA |
|
|
integer
|
|
|
|
:: |
KXC |
|
|
character(len=124)
|
|
|
|
:: |
TXC(3) |
|
|
character(len=40)
|
|
|
|
:: |
I13 |
|
|
integer
|
|
|
|
:: |
NLBASIS |
|
|
integer
|
|
|
|
:: |
NRBASIS |
|
|
integer
|
|
|
|
:: |
NLEFT |
|
|
integer
|
|
|
|
:: |
NRIGHT |
|
|
real(kind=8)
|
|
|
|
:: |
ZPERLEFT(3) |
|
|
real(kind=8)
|
|
|
|
:: |
ZPERIGHT(3) |
|
|
real(kind=8)
|
|
|
|
:: |
TLEFT(3,*) |
|
|
real(kind=8)
|
|
|
|
:: |
TRIGHT(3,*) |
|
|
logical
|
|
|
|
:: |
LINTERFACE |
|
|
real(kind=8)
|
|
|
|
:: |
RCUTZ |
|
|
real(kind=8)
|
|
|
|
:: |
RCUTXY |
|
|
real(kind=8)
|
|
|
|
:: |
RMTCORE(*) |
|
|
logical
|
|
|
|
:: |
LMTREF |
|
|
real(kind=8)
|
|
|
|
:: |
RMTREF(*) |
|
|
real(kind=8)
|
|
|
|
:: |
SIZEFAC(-NLEMBD*NEMBD:NTOTD) |
|
|
integer
|
|
|
|
:: |
NFACELIM |
|
|
real(kind=8)
|
|
|
|
:: |
EFSET |
|
|
real(kind=8)
|
|
|
|
:: |
AOUT_ALL(NATYPD) |
|
|
integer
|
|
|
|
:: |
NPOI |
|
Common Blocks
| Type |
Attributes |
|
Name |
| Initial | |
|
real
|
|
:: |
TESTC |
|
|
|
| Type |
Attributes |
|
Name |
| Initial | |
|
real
|
|
:: |
OPTC |
|
|
|
