I see, Thanks. On Wed, 30 Apr 2008, Paolo Giannozzi wrote:
> > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ZHENG Bing - International Center for Theoretical Physics(ICTP) - Strada Costiera 11 - 34014 Trieste, ITALY E-mail: zhengb at ictp.it - Tel : +39 040 224 0459 - Fax : +39 040 224 163 -
