Dear Paolo, Thank you very much for reminding this point. For accuracy of some 3 decimals I checked, 40.0 is sufficient for ecutwf. Bests, m.
> > On Nov 22, 2010, at 13:11 , Mahmoud Payami wrote: > >> ecutwfc = 70.0 , >> ecutrho = 200.0 > > not a great idea: ecutrho should be 4*ecutwfc. > By the way, 70Ry for Al is a VERY big cutoff > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics, Univ. 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 > >
