Dear Paolo, On 20 May 2012, at 18:20, Paolo Giannozzi wrote:
> > On May 19, 2012, at 17:52 , Marino Vetuschi Zuccolini wrote: > >> I generated the Al PP with the input below with ld1.x [...] and I >> used it in virtual.x, >> but after an error > > an error where? in virtual.x? the "error" was an error message by the fact that virtual.x was unable to read upf_v1_format, as you said. I understand why browsing files upf_v*_format. > >> I compared the new one Al PP file with one distributed with >> espresso [...] >> The structure of the <PP_*> sections are clearly different. > > IIRC newer PP are written to a different version of the file format > (there is a tag <UPF version="2.0.1"> or something like this) > that virtual.x cannot read. You can force the PP file to be > in the old format using option "upf_v1_format" in ld1.x, though > That's what I need, and next time I will spend more time to read the *.x manual. The problem is solved fully changing which_augfun='PSQ' to which_augfun='AE' Thanks m. ******************************************************* Marino Vetuschi Zuccolini zucco at dipteris.unige.it Researcher / Geochemist Laboratory of Geochemistry DIPartimento per lo studio della TErra e delle sue RISorse - Universit? di Genova Tel. ++39 010 3538136 Fax. ++39 010 352169 Corso Europa 26, 16132 - Genova - Italy
