Thanks Paolo. If this is true, then the 'final coordinates' is not actually final.
-Xijun On Wed, Sep 7, 2011 at 11:45 AM, Paolo Giannozzi <giannozz at democritos.it> wrote: > Most likely the damped dynamics algorithm updates the > atomic positions one last time before printing them > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > 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 > -- Department of Chemistry and Biochemistry, Concordia University 7141 Sherbrooke Ouest, Montreal, QC H4B 1R6 Tel: 514-848-2424-#5835 (Lab) TA office: SP175.23