Dear all, I’m trying to simulate optical spectra and plasmon resonance for different gold cluster sizes. In order to do that, I’m employing real time propagation after initial delta-pulse kick. For the smaller particle sizes (up to ~114 atoms) everything works well and I get reasonable spectra. However for the larger nanoparticle (178 atoms) I’m getting segmentation fault due to the calculation of the dipole moments. When I do not compute and print dipole moments, the real time propagation goes well without any problem. Could you please suggest me how to compute the dipole moment during the real time propagation to avoid this problem? Thank you. Best wishes, Vladislav -- 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/f1ad08c5-e388-4e1a-bbbc-fbd46e715bf6n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/f1ad08c5-e388-4e1a-bbbc-fbd46e715bf6n%40googlegroups.com</a>.