<div dir="ltr">Thank you professor,<br>I will follow your hints.<br>note that I have also tried with G95 with AtomPAW and QE 4.1.2 (serial version) without success.<br>thanks<br><br><div class="gmail_quote">On Thu, May 12, 2011 at 11:25 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im"><br>
On May 12, 2011, at 20:32 , hichem bouderba wrote:<br>
<br>
> Any suggestion ! where should I look ?<br>
<br>
</div>since you mentioned that Ge with semicore in valence<br>
does not work while Ge with semicore in core works,<br>
you should look for some tag that differs between<br>
the two files, or some tag that looks weird in the first<br>
file. If you do not locate the problem, put some print<br>
statements into Modules/read_upf_v2.f90, routine<br>
read_upf_v2. Note that if there is something not<br>
correct in the file format, you should contact the<br>
developers of atomPAW.<br>
<br>
Please sign your posts with your affiliation<br>
<br>
P.<br>
---<br>
<font color="#888888">Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
</font><div><div></div><div class="h5"><br>
<br>
<br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div dir="ltr">Mr. Hichem Bouderba<br>département de physique<br>Université de Batna<br>Algérie<br></div><br>
</div>