Dear all, I'm trying to run the autopilot-example using espresso-4.1.3, but the calculation stops after 102 iterations with the message: "MAIN: convergence achieved for system relaxation". I think that the "problem" is just here. Indeed, by setting ekin_conv_thr to the (crazy) value 1e-30 Ry everything works fine.
Best regards daniel -- ---------------------------------- Daniel Forrer Dipartimento di Scienze Chimiche Universit? degli Studi di Padova V. Marzolo 1, Padova mail daniel.forrer at unipd.it tel. +39 049 8275166 ---------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100503/a055239b/attachment.htm
