Hi Patriot, if you want to get the magnetic moment per atom just add the variable "report = 1" in &SYSTEM, please read the QE manual.<br><br>Best<br><br>PhD stud Arles V. Gil Rebaza<br>IFLP - Argentina<br><br>
<div class="gmail_quote">2011/10/5 patriot pershing <span dir="ltr"><<a href="mailto:science35@gmail.com">science35@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div dir="ltr">dear any one:<div>i have performed scf calculations for Ferromagnetic (FM) and anti-ferromagnetic (AFM) state of C doped ZnO and i would known how to calculate the magnetic moment on each atoms in my supercell as well as electronic charge density for the spin up and down</div>
<div>best regards</div></div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br><br clear="all"><br>-- <br>###---------> Arles V. <---------###<br>