Dear Professor At present we are working on LiMn2O4 spinel Fd-3m. Is it possible to run LiMn1.99Nd0.01O4 if so guide us in finding the order of super cell. Thanks Sundare -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190604/da97ba7a/attachment.html>