<div dir="ltr">The thing is I changed my timestep to 20 fs, but it still outputs every 2 fs.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Apr 28, 2021 at 8:06 AM Fabian Ducry <<a href="mailto:fabia...@gmail.com">fabia...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>Hi,</p>
<p>You are looking for the MOTION%MD%PRINT%ENERGY%EACH section
(<a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/MOTION/MD/PRINT/ENERGY/EACH.html" target="_blank">https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/MOTION/MD/PRINT/ENERGY/EACH.html</a>).
By default the information is printed every step so I assume your
timestep is 2 fs. For printing at every 10th step set MD 10.</p>
<p>Cheers,</p>
<p>Fabian<br>
</p>
On 28.04.2021 07:54, ASSIDUO Network wrote:<br>
<blockquote type="cite">
Hi there, I hope you all are well.<br>
<br>
Could you please help me set up a printing of the
energy/temperature to the .ener file during an AIMD run? Currently
it prints it every 2 fs, but I want it to happen only every 20 fs.
I'm struggling to find the keywords for it.
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