On Apr 30, 2008, at 12:04 , Zheng Bing wrote: > I met some problems when I tried to restart the calculation.
You are restarting from a 'scf' calculation. I am afraid that this case is not implemented right now. In general, restarting from the first scf step of any calculation (MD, structural optimisation, NEB) is not going to work, I am afraid Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
