Hello everyone,I forgot to ask: Is there any future development planned for calculating vibrational spectra (IR/Raman) from AIMD using LS_SCF?Best regards, Iryna <div class="gmail_quote"><div dir="auto" class="gmail_attr">Iryna schrieb am Mittwoch, 4. Oktober 2023 um 17:40:20 UTC+2: </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div>Dear Prof. Hutter,thank you very much for your reply! Best regards,Iryna</div> <div class="gmail_quote"><div dir="auto" class="gmail_attr">Jürg Hutter schrieb am Mittwoch, 4. Oktober 2023 um 10:08:37 UTC+2: </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 is not possible for periodic systems. regards JH ________________________________________ From: <a rel="nofollow">cp...@googlegroups.com</a> <<a rel="nofollow">cp...@googlegroups.com</a>> on behalf of Iryna <<a rel="nofollow">yevl....@gmail.com</a>> Sent: Tuesday, October 3, 2023 10:44 PM To: cp2k Subject: [CP2K:19287] Raman spectra from AIMD (using LS_SCF) Hello everyone, do you know if one can compute Raman spectra from AIMD while using LS_SCF (instead of regular SCF with OT)? According to the CP2K manual the &PERIODIC_EFIELD keyword can't be used in this case. I would appreciate any help! Best regards, Iryna -- 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 rel="nofollow">cp2k+uns...@googlegroups.com</a><mailto:<a rel="nofollow">cp2k+uns...@googlegroups.com</a>>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%40googlegroups.com" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%2540googlegroups.com&source=gmail&ust=1696858322316000&usg=AOvVaw2uyX-gGmmIQVgiQqLpmTFF">https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%40googlegroups.com</a><<a href="https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1696858322316000&usg=AOvVaw0JLspuGMbldJBE54LI8i90">https://groups.google.com/d/msgid/cp2k/3e6bad45-83d7-4f4c-95f9-2b7c88d0747bn%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. </blockquote></div></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/76ee29a0-3228-4841-b4b6-6357b28813a6n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/76ee29a0-3228-4841-b4b6-6357b28813a6n%40googlegroups.com</a>.