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<p>Thanks for the hint, I understand this topic has already been discussed. However, after doing all possible variations I still get the same error.
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<p>Anyhow, I believe there is not any explicit answer to this issue.</p>
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<p>Regards,</p>
Amin </div>
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<div id="x_divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paulatz@gmail.com><br>
<b>Sent:</b> Monday, April 9, 2018 10:00:13 AM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> Re: [QE-users] cholesky Error</font>
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<div class="PlainText">On 09/04/18 09:57, Amin Mirzai wrote:<br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> Error in routine cdiaghg (251):<br>
> problems computing cholesky<br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> <br>
This is one of the most regularly asked questions. This error typically <br>
comes from bad geometry (i.e. ions core regions overlapping), bad <br>
pseudopotentials (should not happen with anything from usual libraries) <br>
or problematic input parameters with advanced features (i.e. lda+U, exx,...)<br>
<br>
kind regards<br>
<br>
<br>
-- <br>
Lorenzo Paulatto - Paris<br>
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