<div dir="ltr">Dear all,<div> I am working on a magnetic structure.After relaxing my structure when I did a scf calculation using smearing=mv , I got a magnetisation of 4.28 Bohr mag./cell.But when same scf I did by using smearing=fd , I got</div>
<div>4.08 Bohr mag./cell.So here my question is</div><div>1. Which value should I trust ?</div><div>2. Why is there such a difference in between the two smearing ?</div><div>Any help will be highly apprecited.</div><div><br>
</div><div>Kind regards</div><div>Paresh chandra rout</div><div>Ph.D student</div><div>IISER Bhopal</div><div><br></div></div>