[Pw_forum] "restart" mode does not work in QE.5.4.0

[Paolo Giannozzi]

Please see this:
   https://www.mail-archive.com/pw_forum@pwscf.org/msg29581.html
Paolo

On Fri, Sep 16, 2016 at 10:36 AM, Faride Hajiheidari <
hajiheidari.faride at gmail.com> wrote:

>
> Dear all,
>
> I have started using quantum espresso version 5.4.0 for some constrained
> magnetization calculations. I followed the procedure written in the
> INPUT_PW file (if the scf calculation does not converge, try to reduce
> lambda to obtain convergence, then restart the run with a larger lambda).
> The second step, 'restart mode', does not work, and I got the following
> error :
>
>      Error in routine read_wavefunctions (1):
>      wavefunctions unit (iunwfc) is not opened
>
>
> This error was reported recently,
> http://qe-forge.org/pipermail/pw_forum/2016-April/109669.html,
> and it was suggested to use to keys, startingpot='file' and
> startingwfc='file' in the input file. I did, but again I got same error
> message.
> I also checked the restart mode for some simple calculations, but it
> didn't work for version 5.4.0. However, it works well for version 4.2.0.
>
> Is there any way to make the restart mode working in QE.5.4.0 ?
>
>
>
> Best,
> Farideh
>
> ------------------------
> Farideh Hajiheidari
>
> RWTH University Aachen
> Institute for Theoretical Solid State Physics
> Otto-Blumenthal-Strasse
> D-52074 Aachen (Germany)
>
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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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