<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="">The binding energy of a system where components A and B bind together is defined as</div><div class=""><br class=""></div>E_binding(A,B) = E_tot(A+B) - E_tot(A) - E_tot(B)<div class=""><br class=""></div><div class="">where E_tot(A+B), E_tot(A) and E_tot(B) are the total energies of the bound system A+B, component A and component B</div><div class="">as obtained from three different total energy calculations.</div><div class=""><br class=""></div><div class="">Warning: the three calculations must be done at the same level of convergence (same ecutwfc, ecutrho, etc.).</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">PS People writing to this forum are usually kindly requested to add an affiliation to their messages</div><div class=""><br class=""><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 26 Jan 2016, at 01:16, Mohssine El Bachra <<a href="mailto:mohssmpi@gmail.com" class="">mohssmpi@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><font face="arial, helvetica, sans-serif" class="">Dear QE Users,</font><div class=""><font face="arial, helvetica, sans-serif" class=""><br class=""></font></div><div class=""><font face="arial, helvetica, sans-serif" class="">I want to calculate the binding energy, but I have no idea how to get or calculate it from my output.</font></div><div class=""><pre style="" class=""><font face="arial, helvetica, sans-serif" class="">Thanks a lot for your patiency in advance.</font></pre></div></div>
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-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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