he nuclei. Available options are 'no' or 'relax'.</li><br>
<hr>
<a name=nstep><li>                 <span style="display:inline-block;background:#EEEEEE;width:400px">               <b>nstep</b>  </span>  
<br><br>
<i>Optional</i><br>
Default: 50<br><br>
Sets the number of steps when moving the nuclei.</li><br>
<hr>
<a name=scf><li>                 <span style="display:inline-block;background:#EEEEEE;width:400px">               <b>scf</b>  </span>  
<br><br>
<i>Mandatory</i><br>
Default: none<br><br>
Contains