he value is input in Hartree atomic units.</li><br>
<hr>
<a name=xyz_file><li>                 <span style="display:inline-block;background:#EEEEEE;width:400px">               <b>xyz_file</b>  </span>  
<br><br>
<i>Optional</i><br>
Default: none<br><br>
Specifies the location of the xyz file that contains the atomic positions. It can be used as an alternate route to set atomic coordinate.</li><br>
</ul>
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