Dear All, I have been working on ferromagnetic metals such as Fe and Ni over the past few days. Despite numerous attempts with various trial-and-error approaches, I have encountered persistent issues with SCF convergence, and I have been unable to identify the cause of the problem in my calculations. I have reviewed several discussions related to Ni slabs in this group, but I am still facing difficulties. I am reaching out in the hope that someone might be able to offer insights or suggestions to help resolve this issue. To assist with troubleshooting, I am attaching both the input and output files for my Ni calculations, as well as the structure I am working with. Any guidance or suggestions would be greatly appreciated. Thank you in advance for your time and assistance. Best regards,Lakshmi. -- 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/56096623-cd0b-4b28-8d7f-3fca6d237717n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/56096623-cd0b-4b28-8d7f-3fca6d237717n%40googlegroups.com</a>.