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<pre>Hi Mojtaba,<o:p></o:p></pre>
<pre><o:p> </o:p></pre>
<pre>Providing an input file could help in resolving the problem you have. Also performing few convergence tests on the cutoff for energy and charge density could help in getting fruitful results with the pseudopotential.<o:p></o:p></pre>
<pre><o:p> </o:p></pre>
<pre><o:p> </o:p></pre>
<pre>Mostafa Youssef<o:p></o:p></pre>
<pre>MIT<o:p></o:p></pre>
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