<div dir="ltr">6.5</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 3, 2020 at 10:49 AM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">QE version?<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <<a href="mailto:friesz@usc.edu" target="_blank">friesz@usc.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hello,<br><br>I am attempting to run pp.x to produce the signed psi^2 plot. I'm getting an error regarding access to the restart file, however, I'm not aware that I'm asking the program to access the file. The CRASH file contains the following:<div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 0<br> from read_wfc : error # 2<br> cannot open restart file /scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948/pwscf.save/wfc1 for reading<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>I would like to know why the program is trying to access this file and why it can't access this file. The input to pp.x follows.</div><div><br></div><div><br></div><div> &INPUTPP<br> prefix = 'pwscf' ,<br> outdir = '/scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948' ,<br> filplot = 'psi2' ,<br> plot_num = 7,<br> kpoint(1) = 1,<br> kband(1) = 1,<br> kband(2) = 8,<br> lsign = .true. ,<br> /<br> &PLOT<br> nfile = 1 ,<br> weight(1) = 1.0,<br> fileout = '.xsf' ,<br> iflag = 3 ,<br> output_format = 5 ,<br> /</div><div><br></div><div><br></div><div>Any help is appreciated.</div><div> <br><div dir="ltr"><div dir="ltr"><div style="font-size:small">Aaron Friesz<br><br></div></div></div></div></div>
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