Respected Peter Blaha sir and Wien2k users, <br> I want to calculate a supercell and using it I want to do a spin polarised calculation. Using "Supercell" command I made a 2*1*1 supercell. I donot need to have a vacuum or impurity inside the cell so I have not introduced them. I then plotted the cell in in VESTA and I got the cell that I wanted. Using the new generated cell I ran the command 'instgen_lapw' and it generated the case.inst file. Then I ran the 'init_lapw' command to initialise . But I was getting the warning that the multiplicity of the atom is changed:<br>
WARNING: Mult not equal. PLEASE CHECK outputnn-file<br> WARNING: ityp not equal. PLEASE CHECK outputnn-file<br><br>Then It is showing that the Bravais lattice has been changed. That means it is not taking the symmetry of the supercell and it is going back to the symmetry of the original cell(before making supercell). Could you please tell me what should I do to resolve this problem.Thamks.<br>
Santu Baidya<br> SNBNCBS, kolkata<br>
West bengal, India<br><span class="gD" style="color: rgb(91, 16, 148);"></span>