<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hello All,<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Posting again there was a typo.<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">I
 am trying to generate Ti pseudopotential with oxidation state <b>+4</b>. I 
have assumed valelnce electronic configurations as ''[Ar] 3d0.0 4s0 
4p0''. When I did the PP test, i found this warning <br>       Warning: n=1, l=0 expected 0 nodes, found 3<br>       Setting wfc to zero for this iteration<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Is it okay to use this PP for further calculations?<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Thank You,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Manu<br><br></div>(University of Waterloo)</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Aug 27, 2016 at 2:58 PM, Manu Hegde <span dir="ltr"><<a href="mailto:mhegde@uwaterloo.ca" target="_blank">mhegde@uwaterloo.ca</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hello All,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">I am trying to generate Ti pseudopotential with oxidation state +5. I have assumed valelnce electronic configurations as ''[Ar] 3d0.0 4s0 4p0''. When I did the PP test, i found this warning <br>       Warning: n=1, l=0 expected 0 nodes, found 3<br>       Setting wfc to zero for this iteration<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Is it okay to use this PP for further calculations?<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Thank You,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Manu<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">(University of Waterloo)<br></div></div>
</blockquote></div><br></div>