[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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