On Jun 7, 2010, at 9:39 , giacsport at libero.it wrote: > bfgs_ndim = 3
use the default. For some reason this little-tested (amd little-used) option has some numerical instability in this specific case when run on parallel machines P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
