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<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Hi <o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>I don’t know if this is possible (or even if the question
makes sense), but I want to use the same set of plane waves for two different
SCF calculations . Basically, I want to calculate the chemical potential of H
in a metal lattice. To do that, I set up the metal lattice with H in an O-site
and calculate its ground state energy. I need to compare the results with those
from putting H in a large vacuum space. And to make the comparison as accurate
as possible, I want the same plane waves used in the H-in-Metal-Lattice
calculation to be used in the H2-in-a-vacuum calculation.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Is this possible in QE?<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Thanks<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Peter Orondo<o:p></o:p></p>
<p class=MsoNormal>Department of Electrical Engineering and Computer Science<o:p></o:p></p>
<p class=MsoNormal>MIT<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
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