Hallo <div><br></div><div>There is a printkey for AO_MATRICES</div><div><a href="https://manual.cp2k.org/trunk/CP2K_INPUT.html">CP2K_INPUT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html">FORCE_EVAL</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html">DFT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html">PRINT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/AO_MATRICES.html">AO_MATRICES</a></div><div>Best</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, April 5, 2022 at 5:00:06 AM UTC+2 vijaysai...@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;">Hello,<br><br>I am trying to run some calculations using GPW (gaussian + plane wave) basis sets. <br><br>Is there any way to print the one electron and two electron integrals from CP2K for specified combination of atom-centered gaussians with plane-wave basis sets.<br><br>Thanks, <br><br>Vijay<br></blockquote></div>

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