Dear wein2k users, We are facing a problem in generating the perfect NiCo2O4 spinel structure by cif file, using cif2struct command. I attach the cif file. As you would see in the attached file the positions of Co atoms are the same as the positions of Ni atoms. Thus, WIEN2k stops with errors, as the generated case.struct also contain Co and Ni atoms with the same positions.
Your assistance towards constructing the case.struct file for this compound is truly appreciated. Best Regards. -- ................................. --------------------------------- Javad Nematollahi PhD Student University of Isfahan
nico2o4.cif
Description: Binary data
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