Dear Will, You can just simply set
restart_mode = 'restart', in CONTROL namelist. With the same "prefix" and "outdir", atomic positions are read from directory $outdir/$prefix.save, which is the last configuration in the previous calculation. Best wishes, Changru On 17 May, 2011, at 18:05, willy kohn wrote: > Dear Pwscf Users: > > I'm trying to use the "md" option in the pw.x to do some > Born-Oppenheimer molecular dynamics calculation, but found that there > is no way to restart the md calculation from the last configuration > (including both positions and velocities) of atoms in a properly > finished running. I'm wondering if there is a simple solution for > that. > > Best, > > Will > > student of Gatech > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Changru Ma SISSA & Theory at Elettra group email: crma at sissa.it tel: +39 040 375 8713 (Elettra) +39 040 378 7870 (SISSA) http://www.sissa.it/~crma ---