[Wien] lapw1 problem with PbTiO3

[vielmaj at onid.orst.edu]

I am doing a simple calculation with PbTiO3 and I am having a problem  
on the second SCF cycle.

I get this error.

#----------------------------------------------------------------------------
forrtl: severe (24): end-of-file during read, unit 5, file  
/home/vielmaj/PT/PT.in1
Image              PC                Routine            Line        Source
lapw1              0000000000E2926A  Unknown               Unknown  Unknown
lapw1              0000000000E2846A  Unknown               Unknown  Unknown
lapw1              0000000000DE269A  Unknown               Unknown  Unknown
lapw1              0000000000DAA97E  Unknown               Unknown  Unknown
lapw1              0000000000DA9F8A  Unknown               Unknown  Unknown
lapw1              0000000000DC8E8B  Unknown               Unknown  Unknown
lapw1              0000000000447548  inilpw_                   363  inilpw.f
lapw1              000000000044A073  MAIN__                     42   
lapw1_tmp_.F
lapw1              0000000000413B4E  Unknown               Unknown  Unknown
libc.so.6          00002B0950FCDC4D  Unknown               Unknown  Unknown
lapw1              0000000000413A69  Unknown               Unknown  Unknown

>   stop error

#----------------------------------------------------------------------------

And this is in the dayfile

#----------------------------------------------------------------------------

>   lapw1       (15:13:42) 0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command   /usr/local/WIEN/lapw1 lapw1.def   failed

>   stop error

#----------------------------------------------------------------------------

Here is my struct file

#----------------------------------------------------------------------------
PT
P   LATTICE,NONEQUIV.ATOMS:  499_P4mm
MODE OF CALC=RELA unit=ang
   7.530562  7.530562  7.882051 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
           MULT= 1          ISPLIT=-2
Pb         NPT=  781  R0=0.00000500 RMT=    3.2500   Z: 82.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.54000000
           MULT= 1          ISPLIT=-2
Ti         NPT=  781  R0=0.00005000 RMT=    1.8000   Z: 22.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.11800000
           MULT= 1          ISPLIT=-2
O          NPT=  781  R0=0.00010000 RMT=    1.5000   Z:  8.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.62100000
           MULT= 2          ISPLIT= 8
       -4: X=0.00000000 Y=0.50000000 Z=0.62100000
O          NPT=  781  R0=0.00010000 RMT=    1.5000   Z:  8.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
    8      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
  0-1 0 0.00000000
  0 0 1 0.00000000
        1
-1 0 0 0.00000000
  0 1 0 0.00000000
  0 0 1 0.00000000
        2
  0-1 0 0.00000000
-1 0 0 0.00000000
  0 0 1 0.00000000
        3
  0 1 0 0.00000000
-1 0 0 0.00000000
  0 0 1 0.00000000
        4
  0-1 0 0.00000000
  1 0 0 0.00000000
  0 0 1 0.00000000
        5
  0 1 0 0.00000000
  1 0 0 0.00000000
  0 0 1 0.00000000
        6
  1 0 0 0.00000000
  0-1 0 0.00000000
  0 0 1 0.00000000
        7
  1 0 0 0.00000000
  0 1 0 0.00000000
  0 0 1 0.00000000
        8

#----------------------------------------------------------------------------

Thanks,
Jason Vielma