<div dir="ltr">Prof. Hutter,<div><br></div><div>I've never ran periodic TDDFT calculations, only gas phase.  Are you able to give a little more information on "usual warnings"?</div><div><br></div><div>Thanks,</div><div>Dave<br><br>On Monday, August 10, 2020 at 7:39:50 AM UTC-4, jgh wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>yes, it is possible see the regtest-tddfpt-X directories for
<br>examples. The usual warnings for TDDFT and periodic systems
<br>apply
<br>
<br>The important input section is
<br>&FORCE_EVAL
<br>  &PROPERTIES
<br>    &TDDFPT
<br>
<br>regards
<br>
<br>Juerg Hutter
<br>------------------------------<wbr>------------------------------<wbr>--
<br>Juerg Hutter                         Phone : ++41 44 635 4491
<br>Institut für Chemie C                FAX   : ++41 44 635 6838
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<br>Date: 08/07/2020 01:09PM
<br>Subject: [CP2K:13736] TDDFT on periodic system - Is it possible?
<br>
<br>Hello,
<br>
<br>I have a polymer in a a periodic cell.  I would like to calculate the UV-Vis using TDDFT.  Is that possible in CP2K 7.0?  If so, what commands should I be looking at?
<br>
<br>Thanks,
<br>Dave  
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