<div dir="ltr"><div class="gmail_default" style="font-family:comic sans ms,sans-serif;font-size:small">Sorry for the error</div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;font-size:small">

<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;margin:0px;color:rgb(0,0,0);font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">What is the difference between the two cases: fcc Fe an fcc Au?</pre><pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;margin:0px;color:rgb(0,0,0);font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">In the first case (fcc Fe), there is a ferromagnetic solution with  magnetic moment equal to 0.96 MB but it's higher in energy than NM solution <br><br>and <br><br>in the second case ( fcc Au) the spin polarized calculation converges to a zero moment solution
which should be identical to the non spin polarized one.</pre>

</div><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><span style="color:rgb(92,92,92);font-family:Arial,Helvetica,"Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol",STIXGeneral,"Cambria Math","Arial Unicode MS",sans-serif;font-size:13px;font-style:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);display:inline;float:none">Dr. Abderrahmane Reggad<br>Engineering Physics Laboratory</span></div><span style="color:rgb(92,92,92);font-family:Arial,Helvetica,"Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol",STIXGeneral,"Cambria Math","Arial Unicode MS",sans-serif;font-size:13px;font-style:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);display:inline;float:none"><span></span>Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, Algeria</span></div>Tel: +213(0)561861963 - Algeria<br></div></div></div></div></div></div></div>