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

[Faride Hajiheidari]

Thanks.


Best,
Farideh

------------------------
Farideh Hajiheidari

RWTH University Aachen
Institute for Theoretical Solid State Physics
Otto-Blumenthal-Strasse
D-52074 Aachen (Germany)

On Fri, Sep 16, 2016 at 11:22 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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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