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<pre class="ContentPasted0"><i class="ContentPasted0">I'm studying CuI doped with Mg using GGA+U, I did the vc-relax for CuI of conventional unit cell, and the relaxation finished within 3H 2m Wall.
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</i><i class="ContentPasted0">After that, I doped the conventional unit cell (8 atoms) by substituting 1 atom by Mg then I did a 'vc-relax' again but it's been 3 days now and the calculation is still running
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</i><i class="ContentPasted0">What can be the problem, please?<br></i></pre>
<pre class="ContentPasted0"><i class="ContentPasted0"> </i><i class="ContentPasted0">
</i><i class="ContentPasted0">Thank you in advance !
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</i><i class="ContentPasted0 ContentPasted1"> Best regards<br></i></pre>
<pre class="ContentPasted0"><i class="ContentPasted0 ContentPasted1"><br><br><br><br><br><br><br><br><span class="x_x_elementToProof x_ContentPasted3 ContentPasted1" style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)">--------------------------------------------------------------------------------</span> <div class="x_x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)"><pre><div style="background-color:white"><div style="background-color:white"><span style="background-color:white"><span class="x_x_ContentPasted1 x_ContentPasted3 ContentPasted1">Salma NAIMI</span><span></span></span><br class="x_x_ContentPasted1 x_ContentPasted3 ContentPasted1"></div><div style="background-color:white"><span style="background-color:white"><span class="x_x_ContentPasted1 x_ContentPasted3 ContentPasted1">PhD student - Mohamed 5 University-Rabat</span></span></div></div></pre></div><br></i></pre>
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