Dear Paolo Was not sure. The calculation is horribly big, thus I asked before trying. 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
