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 <[email protected]> wrote: > Please see this: > https://www.mail-archive.com/[email protected]/msg29581.html > Paolo > > On Fri, Sep 16, 2016 at 10:36 AM, Faride Hajiheidari < > [email protected]> 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) >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > 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 > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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