You just treat them as 2 different types of atoms, say Co1 Co2 then use <br>starting_magnetization(1)=3<br>starting_magnetization(2)=-3<br><br><div class="gmail_quote">2009/10/1 duchl06 <span dir="ltr"><<a href="mailto:duchl06@163.com">duchl06@163.com</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><br><br><span style="font-size: 10pt; color: black; font-family: 'Courier New';">dear pwscf users,<br>
<br> i found in some papers, they always say "To examine the stability of the local magnetic state, we calculate the energy difference between the diamagnetic(DM) antiferromagnetic (AFM) and ferromagnetic(FM) states."<br>
i know that in the case of FM, I need to do only spin-polarized calculation with start magntic moment, while for AF, I should define 2 different atoms having equal but opposite sign magnetic moments. is this right?<br> but i really donot know how to set up a cell for the diamagnetic material, and how to set the start magnetic moment?<br>
thank you!<br> <br>best regards! <br> </span></div>
<div><span style="font-size: 10pt; color: black; font-family: 'Courier New';"></span> </div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>--------------------------------------------------<br>Duy Le<br>PhD Student<br>Department of Physics<br>University of Central Florida.<br>