<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div>Dear all,<br>Can I simply compare the energy levels of two molecules / molecule and slab calculated using espresso? I have heard that if energy origin is arbitrary (e.g. in siesta code) then one have to use a common reference to compare the levels of different calculations. For this purpose one can use e.g. take a hydrogen molecule 10 Å away from the slab or molecule, whose bonding orbital can be taken as reference. <br><br><br>Regards<br>Sagar Ambavale<br>PhD student<br>The M.S. University of Baroda<br>India</div></div><br>
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