<html><body><div style="color:#000; background-color:#fff; font-family:Courier New, courier, monaco, monospace, sans-serif;font-size:12pt"><div>i read that the value of starting magnetization is
used to brake the up/dw symmetry in the charge density but when i fix all parameters and i change the values of starting magnetization the value of total magnetization and <br></div><div>the magnetic moment of each atom changes. U can't understand the relation between starting magnetization, total magnetization and the local magnetic moment</div><div>there is any adea??</div><div>thinx<br></div> <div style="font-family: Courier New,courier,monaco,monospace,sans-serif; font-size: 12pt;"> <div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight: bold;">De :</span></b> Guido Fratesi <fratesi@mater.unimib.it><br> <b><span style="font-weight: bold;">À :</span></b> pw_forum@pwscf.org <br> <b><span style="font-weight: bold;">Envoyé le :</span></b> Jeudi 11 octobre 2012 15h21<br> <b><span style="font-weight:
bold;">Objet :</span></b> Re: [Pw_forum] magnetic moment<br> </font> </div> <br>Dear Sakhroui,<br><br>> Is there a way to get the magnetic moment<br>> of each atom in the input cell??<br><br>Bearing in mind that partitioning charge among atoms is arbitrary, the <br>code projwfc.x will do that job by projecting the charge on atomic <br>wavefunctions. Then, mu=rho_up-rho_dw where rho is the charge on the <br>atomic wavefunctions of each atom.<br><br>Guido<br><br>PS having a spell-checker installed could be a good idea ;-)<br><br>-- <br>Guido Fratesi<br><br>Dipartimento di Scienza dei Materiali<br>Universita` degli Studi di Milano-Bicocca<br>via Cozzi 53, 20125 Milano, Italy<br><br>_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum"
target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br><br><br> </div> </div> </div></body></html>