<div dir="auto">Sorry, it was the ordering of atoms! Thanks for the hint. </div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Feb 22, 2020, 5:32 AM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr">On Fri, Feb 21, 2020 at 8:45 PM Hooman Yaghoobnejad Asl <<a href="mailto:hynr8@mst.edu" target="_blank" rel="noreferrer">hynr8@mst.edu</a>> wrote:<br></div><div class="gmail_quote"><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div><font color="#351c75">" WARNING! All Hubbard atoms must be listed first in the ATOMIC_POSITIONS card of PWscf<br> Stopping..."</font></div><div>Any hint to show me what I'm doing wrong is highly appreciated.</div></div></blockquote><div><br></div><div>hint: read the above message. It tells you exactly what you need to do</div><div><br></div><div>Paolo<br></div></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>
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