Dear Fabian, Thank you very much for your response. I will try it.<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, January 4, 2022 at 2:20:41 PM UTC+3:30 fabia...@gmail.com wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div>
<p>Hi,</p>
<p>Yes, the latest release of cp2k supports forces for tddft. Here
are some examples:</p>
<p><a href="https://github.com/cp2k/cp2k/tree/support/v9.1/tests/QS/regtest-tddfpt-force" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/tree/support/v9.1/tests/QS/regtest-tddfpt-force&source=gmail&ust=1641386742008000&usg=AFQjCNEQSqzuYkXFCERk-nZ1pj_BfC4YmA">https://github.com/cp2k/cp2k/tree/support/v9.1/tests/QS/regtest-tddfpt-force</a></p>
<p>Cheers,</p>
<p>Fabian<br>
</p></div><div>
<div>On 04.01.2022 10:16,
<a href data-email-masked rel="nofollow">mshakiba.k...@gmail.com</a> wrote:<br>
</div>
</div><div><blockquote type="cite">
Hello everyone, <br>
<br>
I wanted to know is it possible to perform geometry optimization
or molecular dynamics in excited states in CP2K? <br>
Another question is that can we print out the TD-DFT excited
states forces for a geometry too?<br>
<div><br>
</div>
<div>Thank you very much in advance.</div></blockquote></div><div><blockquote type="cite">
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