On Mon, Apr 16, 2012 at 4:18 PM, Giuseppe Mattioli <giuseppe.mattioli at ism.cnr.it> wrote: > > Dear Paolo > Was not sure. The calculation is horribly big, thus I asked before trying.
the reasonable thing to do then would be to first run a (much) smaller test job. axel. > I will report if something goes wrong. > Thanks > Giuseppe > > Quoting Paolo Giannozzi <giannozz at democritos.it>: > >> >> On Apr 16, 2012, at 22:05 , Giuseppe Mattioli wrote: >> >>> Is it possible to make the neb.x wrapper able to "pass the -ndiag >>> option" to the pw.x engine? >> >> doesn't it work? neb.x -ndiag N ... >> >> 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 -- Dr. Axel Kohlmeyer akohlmey at gmail.com ?http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
