<div class="gmail_quote"><div>To complete ... </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="gmail_quote"><div class="im"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">

<div><p>/<br>
 &electrons<br>
    conv_thr = 1e-7,<br>
    mixing_mode = 'plain'<br>
    mixing_beta=0.1,<br>
 /<br>
<br></p></div></blockquote></div></div></blockquote><div>Also try  mixing_mode=local-TF  and range of mixing _beta values.</div><div> </div><div>regards,</div><div>SK</div></div>