<div dir="ltr">I can recommend, as a first step, to use the older 0.3.1 for Fe; it is also the recommended pseudo here
<a href="https://www.materialscloud.org/discover/sssp/plot/precision/Fe">https://www.materialscloud.org/discover/sssp/plot/precision/Fe</a> <div><br></div><div>I am not sure why, but I also had some problems with the 1.0.0 PP;</div><div><br></div><div>HTH!</div><div>Chris <br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Postdoctoral Researcher<br>Center for Quantum Nanoscience, Institute for Basic Science<br>Ewha Womans University, Seoul, South Korea<blockquote type="cite" style="font-size:12.8px"><div dir="ltr"><div><div dir="ltr"></div></div></div></blockquote></div></div></div></div>