Dear Andrei, Thank you for your suggestion. I think that is where I'm confused. My calculation ended prematurely before the first ionic step, so I didn't see any atomic positions.
Thanks, Yantao "ignorant undergraduate" Wu On Mon, May 27, 2013 at 6:58 PM, Andrei Malashevich < andrei.malashevich at yale.edu> wrote: > Dear Yantao, > > Atomic positions ARE printed at the end of each ionic step. Otherwise, > there would be no point in relaxation calculations, wouldn't it? > My guess is that you are confusing SCF iterations with ionic iterations. > > Best regards, > Andrei Malashevich > > Postdoctoral Associate > Department of Applied Physics > Yale University > > > On Mon, May 27, 2013 at 5:39 PM, Yantao Wu <ywu at g.hmc.edu> wrote: > >> Dear QE, >> >> I'm wondering how to print the atomic positions at the end of each >> iteration. Verbosity being "high" doesn't seem to help. Any ideas? >> >> Thanks, >> Yantao Wu >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130528/603a0747/attachment.html
