[Wien] warning: !!! Struct file is not consistent with space group found

[Uday]

Dear Prof. Blaha and WIEN2K users
I constructed a 2x1x1 supercell of a tetragonal unitcell(Space group 129
P4/nmm) consist of 5 non-equivalent atoms. The supercell having 10 atoms
and I replaced one atom with another impurity atom and started init_lapw.
After nn calculation it takes a different spacegroup with a warning
"warning: !!! Struct file is not consistent with space group found". Then
it stopped by leaving a message "STOP: YOU MUST MOVE THE ORIGIN OF THE
UNIT CELL"
So, according to your manual again I replace another one or two toms with
special levels with numbering (like "Cr1", "Cr2" or "O 4"). After doing
that the same warning persist but I could go forward with the SCF
calculation and calculated the DOS and others. Is this calculation correct
keeping in mind that the initial calculation warned?

Later on I noticed that the warning remain persist whatever supercell I
make (2x2x1 or 1x1x2) or whatever atoms I replaced with impurity atoms in
the supercell.

Any help would be greatly appreciated.

With Regards,
Uday
Research scholar
Dept. of Physics
IIT Kanpur
India