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<p>Dear Quantum Espresso users,<br>
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<p>Is it possible to use Quantum Espresso to calculate the properties of a single atom from a certain element?<br>
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<p>It is my understanding that periodic boundary conditions need to be imposed. <br>
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<p>Would it be possible to create a sufficiently large unit cell containing a single atom of the desired element?<br>
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<p>Any clarifications on this issue would be greatly appreciated.<br>
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<p>Thanks,<br>
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<p>Adib Samin<br>
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<p><font size="3" color="#0000ff">Adib Samin</font></p>
<p>Graduate Fellow<br>
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<p>The Department of Aerospace and Mechanical Engineering<br>
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<p><font>The Ohio State University </font></p>
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