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<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Hi Frank<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">It is possible that this error is caused by
<a href="https://github.com/cp2k/cp2k/commit/e0901beed29adda72cbf38980a9f07c76e87032d">
a bug</a> in the CP2K version 7.1 which you are using. That bug has been fixed in newer CP2K versions.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Best<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US">Matthias<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-GB" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><b>Von:</b> cp2k@googlegroups.com <cp2k@googlegroups.com>
<b>Im Auftrag von </b>mdsimula...@gmail.com<br>
<b>Gesendet:</b> Samstag, 20. August 2022 18:16<br>
<b>An:</b> cp2k <cp2k@googlegroups.com><br>
<b>Betreff:</b> [CP2K:17518] UZH potentials and basis - CPASSERT failed<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-left:35.4pt">Hi <o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">I'm trying to use the BASIS_MOLOPT_UZH and POTENTIAL_UZH for a CuO system.<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">My inputs and outputs are attached.<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">I am getting a CPASSERT failed error in "atom_utils.F:2198".<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Any ideas on what's going on and a possible fix?<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Thanks,<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Frank<o:p></o:p></p>
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<p class="MsoNormal" style="margin-left:35.4pt">-- <br>
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