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? > 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 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
