Hi everyone, I was wondering if anyone could advise me why I am getting this error during a geometry optimization calculation. I am using the GAPW method and the wb97xd exchange-correlation function. Input and output files have been attached. <div>Best, Najmeh</div> -- 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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ea3948e2-2048-4e0c-9af0-5474a262e544n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/ea3948e2-2048-4e0c-9af0-5474a262e544n%40googlegroups.com</a>.