[Pw_forum] (no subject)

[anna.ferrari at unito.it]

ok
i understand

i wonder if I select a restart mode  and i change
something in the input (threshold or something else)
these new information are read from the input file or
everything is read from teh scratch files of the previous
run?

thanks again
anna

>
>
> ------------------ Messaggio originale -------------------
> Oggetto: Re: [Pw_forum] (no subject)
> Da:      "Paolo Giannozzi" <giannozz at democritos.it>
> Data:    Gio, 28 Agosto 2008, 3:06 pm
> A:       "PWSCF Forum" <pw_forum at pwscf.org>
> ----------------------------------------------------------
>
>
> On Aug 27, 2008, at 17:06 , Anna Maria Ferrari wrote:
>
>> I started a relax calculation that crashed
>> now I hopefully found the error
>>
>> my question is
>> how can i restart the calculation without repeating the
>> scf?
>
>
> it depends a lot on what you did and how, whether you have
> final
> or intermediate data, and how lucky you are. The simplest
> thing to
> do is to get the last (or the best) available atomic
> positions and start
> from there
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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>