Dr. Hutter, I appreciate you letting me know. Thank you for your timely response. Best, Lili<div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, May 4, 2023 at 4:39:03 AM UTC-4 Jürg Hutter wrote: </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi this option is currently not available. I'm not sure if someone is actively developing it. regards JH ________________________________________ From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Leili Rassouli <<a href data-email-masked rel="nofollow">rassoul...@gmail.com</a>> Sent: Monday, May 1, 2023 8:26 PM To: cp2k Subject: Re: [CP2K:18747] How can I found a example for BSE calculations? Hi everyone, I am attempting to perform GW/BSE calculations using cp2k 2022.1 and have been following the instructions provided in the CP2K manual at this link: CP2K_INPUT / FORCE_EVAL / DFT / XC / WF_CORRELATION / RI_RPA / GW. (<a href="https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW.html&source=gmail&ust=1683391484617000&usg=AOvVaw1uo5paZD1tpS4rEl7KrUJR">https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW.html</a>). However, when attempting to add the BSE subsection to my input file, I noticed that nothing changes in the output file and no sections regarding BSE are printed. Additionally, when I added "BSE .TRUE." in the keywords, I received a CPASSERT error message stating "failed mp2 integrals.F:325". Are there any available tests to help me check the input file in this version of CP2K? Or is it possible that BSE calculations are not yet available in CP2K 2022.1 or the latest version (2023)? Thank you in advance for any help or guidance you can provide. Lili Rassouli On Monday, December 13, 2021 at 7:44:45 AM UTC-5 dylan chen wrote: Hi Juerg, Thank you for your reply! Best, Dylan -- 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 data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a><mailto:<a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a>>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%40googlegroups.com" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%2540googlegroups.com&source=gmail&ust=1683391484617000&usg=AOvVaw2BxxkKCyp3bnkkZJsx0jJF">https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%40googlegroups.com</a><<a href="https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1683391484617000&usg=AOvVaw30kg7zjYjJA3fJt6SdM6Mo">https://groups.google.com/d/msgid/cp2k/f92ccebc-ceaa-4f53-afce-497ab1873f61n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. </blockquote></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/792be98d-254d-4952-886f-e6878749a80fn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/792be98d-254d-4952-886f-e6878749a80fn%40googlegroups.com</a>.