<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="">Look through the documentation/tutorials that turn out to be quite helpful to understand basic features of the code.<div class=""><br class=""></div><div class="">An example of magnetic calculation is in PW/examples/example01 (see the spin-polarized calculation for nickel).</div><div class=""><br class=""></div><div class="">Also, retrieved for example from <a href="http://media.quantum-espresso.org/santa_barbara_2009_07/" class="">http://media.quantum-espresso.org/santa_barbara_2009_07/</a> :</div><div class=""><br class=""></div><div class=""><a href="http://media.quantum-espresso.org/santa_barbara_2009_07/slides-exercices/MagnCorr.pdf" class="">http://media.quantum-espresso.org/santa_barbara_2009_07/slides-exercices/MagnCorr.pdf</a></div><div class=""><a href="http://media.quantum-espresso.org/santa_barbara_2009_07/slides-exercices/Handson_lsda.pdf" class="">http://media.quantum-espresso.org/santa_barbara_2009_07/slides-exercices/Handson_lsda.pdf</a></div><div class=""><br class=""></div><div class="">As you will see, you must use the variables nspin and starting_magnetization to drive the system out of the local, spin-unpolarised minimum.</div><div class="">If your system is magnetic, the output file will show you final values of the total and/or absolute magnetisation different from zero.</div><div class=""><br class=""></div><div class="">GIOVANNI</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 30 Jun 2015, at 14:42, fadwa fad <<a href="mailto:fadwa.me18@gmail.com" class="">fadwa.me18@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hi All,<div class=""><br class=""></div><div class="">I used system that is not magnetic and I added some dopants to render it magnetic. My question is How can I know that the system become magnetic or not with pwscf? and which type of magnetization is it ? </div><div class="">Any help will be highly appreciated.</div><div class=""><br class=""></div><div class="">Kind Regards</div><div class="">Fadwa </div><div class=""><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.600000381469727px;" class=""> </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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