Dear all,<br>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.<br>
<br>Best regards<br>daniel<br clear="all"><br>-- <br> ----------------------------------<br><br> Daniel Forrer<br> Dipartimento di Scienze Chimiche<br>
Universitą degli Studi di Padova<br> V. Marzolo 1, Padova<br> mail <a href="mailto:daniel.forrer@unipd.it" target="_blank">daniel.forrer@unipd.it</a><br> tel. +39 049 8275166<br> <br> ----------------------------------<br>