On Jul 8, 2009, at 13:15 , leila salimi wrote: > from ewald : error # 1 > optimal alpha not found
wasn't it explained a few days ago by LP? newer IBM compilers have made a mess with the error function (erf, erfc) P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
