[Wien] error dop1.inst not consistent with Z

[mouhamed mahdi]

Dear Prof Blaha and Wien2k user.

i am using wien2k to calculate Mtot in a doped ZnO structure (Co)
i had this masg in init lapw:

error
edit inst
error: dop1.inst not consistent with Z
edit dop1.inst rerun lstart or change Z in strust Gen  !

this is my case.struct:
dop1

P   LATTICE,NONEQUIV.ATOMS:  4

MODE OF CALC=RELA unit=bohr

  8.447079  8.447079  8.447079 90.000000 90.000000 90.000000

ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.25000000
      -1: X=0.75000000 Y=0.25000000 Z=0.75000000
      -1: X=0.25000000 Y=0.75000000 Z=0.75000000
Zn1        NPT=  781  R0=0.00005000 RMT=    1.7800   Z: 30.0

LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
O 2        NPT=  781  R0=0.00010000 RMT=    1.6000   Z: 16.0

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=0.00000000
          MULT= 3          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
O 3        NPT=  781  R0=0.00010000 RMT=    1.6000   Z: 16.0

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=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Co4        NPT=  781  R0=0.00005000 RMT=    1.7800   Z: 27.0

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  24      NUMBER OF SYMMETRY OPERATIONS
...
any help PLZ.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131008/51c290d0/attachment.htm>