<div dir="ltr"><br>Dear all,<br><br>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 :<br><br> Error in routine read_wavefunctions (1):<br> wavefunctions unit (iunwfc) is not opened<br><br><br><div>This error was reported recently, <br><a target="_blank" href="http://qe-forge.org/pipermail/pw_forum/2016-April/109669.html">http://qe-forge.org/pipermail/<wbr>pw_forum/2016-April/109669.htm<wbr>l</a>,<br>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. <br></div><div>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.<br><br></div><div>Is there any way to make the restart mode working in QE.5.4.0 ?<br><br><br><br></div><div>Best, <br></div><div>Farideh<br></div><br><span style="font-size:10pt;font-family:"calibri",sans-serif">------------------------<br>
Farideh Hajiheidari<br>
<br>
RWTH University Aachen<br>
Institute for Theoretical Solid State Physics<br>
Otto-Blumenthal-Strasse<br>
D-52074 Aachen (Germany)</span><br></div>