[Wien] generating spinel structure

[javad nematollahi]

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.​

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Javad Nematollahi
PhD Student
University of Isfahan
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