<div dir="auto">Choose &DOS instead of &inputpp in your dos input.</div><div class="gmail_extra"><br><div class="gmail_quote">On 10-Oct-2017 1:38 PM, "Sudha Priyanka" <<a href="mailto:sudhapriyanga24@gmail.com" target="_blank">sudhapriyanga24@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div><div><div>Dear Manu<br></div> Thank you for your suggestion. I tried and its work. Now I am trying to plot dos and band in qe-6.1, while running dos and pdos I got the following error<br><br> Program DOS v.6.1 (svn rev. 13369) starts on 10Oct2017 at 12:38: 5 <br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br> URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.<wbr>org</a>", <br> in publications or presentations arising from this work. More details at<br> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.<wbr>org/quote</a><br><br> Serial version<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br> Error in routine dos (1):<br> reading dos namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br><br></div>The program stopped automatically.<br></div>How to fix this.<br></div>Herein I have attached the inputs and commands that I have given.<br><br></div>Regards<br></div>Sudha<br><div><div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Oct 9, 2017 at 9:33 AM, Manu Hegde <span dir="ltr"><<a href="mailto:mhegde@uwaterloo.ca" target="_blank">mhegde@uwaterloo.ca</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 style="font-family:arial,helvetica,sans-serif">looks like you have not provided the PATH in bash file. do something like this </div><div style="font-family:arial,helvetica,sans-serif"><br></div><div><span style="color:rgb(51,51,51);font-size:19.305px;text-align:center"><font face="arial, helvetica, sans-serif">export PATH=$PATH:/complete_path_to_e<wbr>spresso-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><br></div><div 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"><div><div class="m_-2973983004375463110h5">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></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="m_-2973983004375463110h5"><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="m_-2973983004375463110m_3087083122080920032HOEnZb"><font color="#888888"><br></font></span></span></font></div><span class="m_-2973983004375463110m_3087083122080920032HOEnZb"><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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