[Pw_forum] "restart" mode does not work in QE.5.4.0
hajiheidari.faride at gmail.com
Fri Sep 16 10:36:37 CEST 2016
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 in routine read_wavefunctions (1):
wavefunctions unit (iunwfc) is not opened
This error was reported recently,
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
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 ?
RWTH University Aachen
Institute for Theoretical Solid State Physics
D-52074 Aachen (Germany)
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