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<p class="MsoNormal">Dear all!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am currently trying to study the absorption geometry of a molecule (chlorobenzene, pyridine) on metal surfaces (nothing new here¡¦) using QE. I wonder if anyone could point me toward a worked example of some sorts how this can be done
using either cp.x or neb.x. I am particularly curious how to freeze the metal and move only the molecule when running neb.x. Is that possible?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Any comment to help me getting started is very much appreciated!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best regards,<o:p></o:p></p>
<p class="MsoNormal">Chris <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Christoph Wolf<o:p></o:p></p>
<p class="MsoNormal">Materials Science and Engineering; Postech University, Korea<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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