<div>
Hi there, <br></div><div>Due to AFM structure, the net magnetization is zero.</div><div>I plan to set one Fe MAGNETIZATION  -4.297 <br></div><div>       and another Fe MAGNETIZATION  4.297.</div><div><br></div><div>But according to MAGNETIZATION definition from CP2K input manual, <br></div><div><br></div><div>

<span><span><span><span><br><span>MAGNETIC</span><span> {Logical}</span></span></span><span><span><br></span><span><br><em>Calculate also magnetic moments, only implemented without periodic boundaries</em></span></span><span><span><br></span><span><br><span style="background-color: yellow;">This keyword cannot be repeated and it expects precisely one logical.</span></span></span><span><span style="background-color: yellow;"><br></span><span><br>The lone keyword behaves as a switch to<span> </span><span>.TRUE.</span></span></span><span><span><br></span><span><br>Default value:<span> </span><span>.FALSE.</span></span></span></span></span></div><div><span><span><span><span><span><br></span></span></span></span></span></div><div><span><span><span><span><span><br></span></span></span></span></span></div><div><span><span><span><span><span>Can you give me some suggestion about <br></span></span></span></span></span></div><div><span><span><span><span><span>setting two magnetization for two atoms ? Thanks.</span></span></span></span></span></div><div><span><span><span><span><span>I attach a file that  MULTIPLICITY  = 1 for you to check.<br></span></span></span></span></span></div><div><span><span><span><span><span><br></span></span></span></span></span></div><div><span><span><span><span><span><br></span></span></span></span></span></div><div><span><span><span><span><span>Have a good weekends</span></span></span></span></span></div><div><span><span><span><span><span>Zac<br></span></span></span></span></span></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/07d066f6-a781-4cf4-b6d6-41c2b5891655n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/07d066f6-a781-4cf4-b6d6-41c2b5891655n%40googlegroups.com</a>.<br />