[Wien] Supercell calculation

[puday at iitk.ac.in]

Dear Prof Blaha and Wien2k users

I want to put an impurity atom to a body centred tetragonal unit cell(I4/mmm)
So first I make the supercell 2X2X2 and then in the structure file I
replace a particular atom by another atom. in init_lapw calculation after
putting nn=2 it shows

WARNING: ityp not equal. PLEASE CHECK outputnn-file
WARNING: Mult not equal. PLEASE CHECK outputnn-file


Is their any other way to do the calculation in case doping with other
impurity atom?

Regards,
Uday Bhanu Paramanik
Dept.of Physics
IIT Kanpur
India