[Pw_forum] autopilot-example
Daniel Forrer
daniel.forrer at unipd.it
Mon May 3 17:12:26 CEST 2010
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
--
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Daniel Forrer
Dipartimento di Scienze Chimiche
Università degli Studi di Padova
V. Marzolo 1, Padova
mail daniel.forrer at unipd.it
tel. +39 049 8275166
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