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
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