Thank you professor, I will follow your hints. note that I have also tried with G95 with AtomPAW and QE 4.1.2 (serial version) without success. thanks
On Thu, May 12, 2011 at 11:25 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On May 12, 2011, at 20:32 , hichem bouderba wrote: > > > Any suggestion ! where should I look ? > > since you mentioned that Ge with semicore in valence > does not work while Ge with semicore in core works, > you should look for some tag that differs between > the two files, or some tag that looks weird in the first > file. If you do not locate the problem, put some print > statements into Modules/read_upf_v2.f90, routine > read_upf_v2. Note that if there is something not > correct in the file format, you should contact the > developers of atomPAW. > > Please sign your posts with your affiliation > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Mr. Hichem Bouderba d?partement de physique Universit? de Batna Alg?rie -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110512/e95da123/attachment.htm
