Dear CP2K community, On 24 February 2023 I made some changes in the Real-Time calculation part of the code which turned out to break one specific behavior: Ehrenfest Dynamics with a time-dependent field. This has been fixed the 9 October 2023. Thus, if you are using Ehrenfest Dynamics with a time-dependent field, you are NOT impacted if: - You are using a version before 24.02.2023. This includes V2023.1 and the previous ones. - The master branch from 09.10.2023. You ARE impacted if: - You are using a version between 24.02.2023 and 09.10.2023. This includes V2023.2. If you are impacted, I recommend you rerun your simulations (involving Ehrenfest + Field) with the newest version of the code as the issue is quite important. If you want to keep using version 2023.2, here is a patch to solve this problem. 1) Download the patch and untar it. 2) Apply the patch using the patch command in the shell: $> patch cp2k/src/qs_force.F qs_force.patch $> patch cp2k/tests/QS/regtest-rtp-2/TEST_FILES TEST_FILES.patch To check that the patch has been applied correctly, open the cp2k/tests/QS/regtest-rtp-2/TEST_FILES file. Line 11 should be: H2-emd-efield.inp 2 4e-11 -0.894818188949 3) recompile the code and run regtests. I sincerely apologize for this problem. Guillaume Le Breton -- 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/f8938e6f-522f-4f87-bc4d-ee89adfb74c5n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/f8938e6f-522f-4f87-bc4d-ee89adfb74c5n%40googlegroups.com</a>.