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Thank you, Stefano, for your answer,.<br>
Unfortunately, it does not work. <br>
It is a matter of missing variables in the restart files ( .rho?). I
should find out how to let the <br>
code write them down. <br>
alessandra<br>
<br>
<br>
Stefano Fabris wrote:
<blockquote type="cite"><br>
<blockquote type="cite">It happens that when the run accidentally
stops before
<br>
the convergence is reached (because the simulation cell is big and
<br>
the computing time per run is limited)
<br>
</blockquote>
<br>
A possible solution to your problem could be to add the instruction
"max_seconds = n" in the input file. This force the program to exit
after n seconds, writing all the files it needs for restarting
(provided that n is shorter than the time limit for you run ...).
<br>
<br>
Stefano.
<br>
<br>
<br>
</blockquote>
<br>
<br>
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<div style="text-align: left;">Alessandra Satta<br>
Dipartimento di Fisica dell'Università di Cagliari<br>
Cittadella Universitaria - SP Monserrato-Sestu Km. 0,700<br>
09042 - Monserrato (Ca)<br>
Tel.: +39 070 675 4847<br>
Fax : +39 070 510171<br>
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