<div dir="ltr">Dear Kit,<br><br>You probably want to have this section in your input file:<br><br>  &DFT<br>    &PRINT<br>      &MOMENTS<br>!        &EACH<br>!          MD 1<br>!        &END EACH<br>      &END MOMENTS<br>    &END PRINT<br>    ...<br>  &END DFT<br><br>Please also have a look at the keywords for the sections MOMENTS and EACH <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MOMENTS.html">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MOMENTS.html</a>.<br><br>Best regards,<br>Andreas<br></div>