On Tue, Jun 19, 2012 at 6:27 AM, Gabriel Pagola <gpagola at df.uba.ar> wrote:
> ?wc-relax?. > Dear Gabriel, I know it's childish, but i cannot stop giggling, I hope you were doing 'vc-relax'. > But, as you can see in the output attached, the QE continues making > iterations although the conditions of convergence are clearly fulfilled. > To be honest, we cannot see that the force condition is fulfilled; the next time please post the entire input and output. Anyway, I'll assume you're right, and recall you that when doing varable-cell relax (vc-relax) there is also a convergence condition on the stress tensor. Is it converged? best regards -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120619/31699fe6/attachment.htm
