<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">looks like you have not provided the PATH in bash file. do something like this </div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif"><br></div><div class="gmail_default" style=""><span style="color:rgb(51,51,51);font-size:19.305px;text-align:center"><font face="arial, helvetica, sans-serif" style="">export PATH=$PATH:/complete_path_to_espresso-6.1*/bin</font></span><span style="font-family:"courier new";color:rgb(51,51,51);font-size:19.305px;text-align:center">/</span></div><div class="gmail_default" style=""><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif"><span style="color:rgb(51,51,51);font-family:"courier new";font-size:19.305px;text-align:center"><br></span></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Oct 9, 2017 at 4:32 AM, Sudha Priyanka <span dir="ltr"><<a href="mailto:sudhapriyanga24@gmail.com" target="_blank">sudhapriyanga24@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div>Dear experts<br><font color="#111111"><font face="Bitstream Charter, serif"><font style="font-size:11pt" size="2"><font face="Bitstream Charter, serif"> I
am beginner in using this Quantum Espresso software and I need to
clarify my doubt regarding the same. </font></font></font></font><font color="#111111"><font face="Bitstream Charter, serif"><font style="font-size:11pt" size="2"><font face="Bitstream Charter, serif"><font color="#111111"><font face="Bitstream Charter, serif"><font style="font-size:11pt" size="2">I
have installed QE-6.1 in ubuntu 16.04 LTS.</font></font></font>I have installed QE in Laptop
and I have checked the proper installation by running the example
files and successfully got the results. But when I am trying to run
for my own input, I got the error "bash: pw.x: no input files in
the directory". Please tell me how to solve this.<br></font></font></font></font><br><font color="#000000"><font face="Bitstream Charter, serif"><font style="font-size:11pt" size="2">Right
now I am doing calculations by coping pw.x from PW path and paste it
in the concerned directory and then I am running all the calculation.<br><br></font></font></font><br><font size="2"><span style="font-family:arial,helvetica,sans-serif">When I am
trying to calculate DOS for Ni, I got the
following error while running <a href="http://ni.dos.in" target="_blank">ni.dos.in</a>. (I have enclosed my input files
herein)<br>I am using the following command to run scf, nscf and dos <br>For scf: ./pw.x <<a href="http://ni.scf.in" target="_blank">ni.scf.in</a> >ni.scf.out<br>For nscf: </span></font><font size="2"><span style="font-family:arial,helvetica,sans-serif">./pw.x <<a href="http://ni.nscf.in" target="_blank">ni.nscf.in</a> >ni.nscf.out<br>For dos: ./dos.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out (Error: Error in routine dos (1):<br> reading dos namelist)<br><br></span></font></div><font size="2"><span style="font-family:arial,helvetica,sans-serif">Am I running correct or not?<br><br></span></font></div><font size="2"><span style="font-family:arial,helvetica,sans-serif">For dos:./pw.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out (Error in routine read_namelists (1):<br> bad line in namelist &control: "" (error could be in the previous line))<br></span></font></div><font size="2"><span style="font-family:arial,helvetica,sans-serif">For dos: ./pp.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out (</span></font><font size="2"><span style="font-family:arial,helvetica,sans-serif"></span></font>Error in routine postproc (1):<br><div><div><div>reading inputpp namelist)<br><br></div><div>Which one is correct: <font size="2"><span style="font-family:arial,helvetica,sans-serif">./dos.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out (or) </span></font><br><font size="2"><span style="font-family:arial,helvetica,sans-serif">./pw.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out (or) </span></font><br><font size="2"><span style="font-family:arial,helvetica,sans-serif"> ./pp.x <<a href="http://ni.dos.in" target="_blank">ni.dos.in</a> >ni.dos.out?<br><br></span></font></div><div><font size="2"><span style="font-family:arial,helvetica,sans-serif">Please help me to fix these errors and help me to plot dos..<br><br></span></font></div><div><font size="2"><span style="font-family:arial,helvetica,sans-serif">Regards<span class="HOEnZb"><font color="#888888"><br></font></span></span></font></div><span class="HOEnZb"><font color="#888888"><div><font size="2"><span style="font-family:arial,helvetica,sans-serif">Sudha Priyanka<br></span></font></div></font></span></div></div></div>
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