Dear CP2K Developers,I am currently trying to calculate the Hubbard U parameter using the linear response approach in cp2k for a DFT+U setup. I have successfully obtained the occupations from the self-consistent response. However, I am struggling with how to obtain the non-self-consistent response occupations.Specifically, I am trying to perform a calculation where only the electron density and occupations are updated without performing a full SCF iteration, in order to obtain the non-self-consistent occupations. I couldn't find a way to achieve this in cp2k. Could you please advise on how I can configure cp2k to only update the electronic density without running a complete SCF?Any guidance or examples of input parameters to perform this type of non-SCF calculation would be immensely helpful.Thank you very much for your assistance. Here is some reference of linear response approach: <a href="https://doi.org/10.1103/PhysRevB.71.035105" style="box-sizing: border-box; border-width: 0px; border-style: solid; text-decoration-line: underline; text-decoration-thickness: inherit; text-decoration-style: inherit; text-decoration-color: inherit; display: inline; align-items: center; gap: 0.25rem; word-break: break-all; font-family: "Noto Sans", Helvetica, ui-sans-serif, system-ui, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", "Segoe UI Symbol", "Noto Color Emoji";">https://doi.org/10.1103/PhysRevB.71.035105</a> https://www.vasp.at/wiki/index.php/Calculate_U_for_LSDA%2BUBest regards, Luo Rong Hao -- 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/1adb73d9-206b-4809-a455-a0a57fe5408bn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/1adb73d9-206b-4809-a455-a0a57fe5408bn%40googlegroups.com</a>.