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<p class="MsoNormal">Dear CP2K users,</p>
<p class="MsoNormal">I am trying to optimize a FeN4 structure using hybrid functional (HSE06).</p>
<p class="MsoNormal">I started with a converged wavefunction from PBE functional, but I can not the SCF fully converged in the subsequent HSE06.</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Attached is my input file and the output.</p>
<p class="MsoNormal"><br>
Thank you very much for your suggestions,<br>
Best Wishes,<br>
Geng</p>
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<p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Mail</a> for Windows</p>
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