Dear everyone I ran AIMD 4000 steps, but I want to run 5000 steps. I added EXT_RESTART to DFT in .inp, but the error is unknown subsection EXT_RESTART of section DFT, can anyone help me? -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200915/97545033/attachment.htm>