Hello everyone, I'm currently running some simulations on transition metal oxides and would like to perform spin-polarized DFT calculations. However, I keep encountering a recurring CPASSERT error that I haven’t been able to diagnose. I've reviewed previous threads and updated my input files accordingly, but the error persists. I’m trying to perform calculations with a fixed spin configuration and do not want to allow spin relaxation or spin flipping. If anyone could spot any obvious issues in my input file or offer guidance, I would greatly appreciate it. Thanks in advance for your help! -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/30e68d6c-00e2-46e2-b69a-d3ff404b5bb8n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/30e68d6c-00e2-46e2-b69a-d3ff404b5bb8n%40googlegroups.com</a>.